NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471238 | 2kzc | 17002 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -19.423 6.275 3.602 2 HA2 GLY 1 HA2 GLY 1 -19.161 6.924 0.722 3 HA3 GLY 1 HA1 GLY 1 -18.067 7.496 2.001 4 H MET 2 HN MET 2 -17.235 5.934 -0.379 5 HA MET 2 HA MET 2 -16.571 3.292 0.827 6 HB2 MET 2 HB2 MET 2 -16.356 4.279 -2.029 7 HB3 MET 2 HB3 MET 2 -15.880 2.677 -1.439 8 HG2 MET 2 HG2 MET 2 -18.218 2.330 -0.609 9 HG3 MET 2 HG3 MET 2 -18.679 3.855 -1.376 10 HE1 MET 2 HE1 MET 2 -20.434 1.358 -3.684 11 HE2 MET 2 HE2 MET 2 -20.275 1.298 -1.917 12 HE3 MET 2 HE3 MET 2 -20.558 2.848 -2.742 13 H GLN 3 HN GLN 3 -15.237 6.387 0.418 14 HA GLN 3 HA GLN 3 -12.755 6.240 -0.473 15 HB2 GLN 3 HB2 GLN 3 -14.112 7.832 1.615 16 HB3 GLN 3 HB3 GLN 3 -12.410 7.743 1.923 17 HG2 GLN 3 HG2 GLN 3 -13.347 8.475 -0.846 18 HG3 GLN 3 HG3 GLN 3 -13.358 9.672 0.460 19 HE21 GLN 3 HE21 GLN 3 -10.661 7.249 0.240 20 HE22 GLN 3 HE22 GLN 3 -9.676 8.345 -0.680 21 H PHE 4 HN PHE 4 -13.643 5.050 2.567 22 HA PHE 4 HA PHE 4 -10.991 5.162 3.788 23 HB2 PHE 4 HB2 PHE 4 -13.560 5.811 4.510 24 HB3 PHE 4 HB3 PHE 4 -13.411 4.283 5.346 25 HD1 PHE 4 HD1 PHE 4 -11.170 7.248 4.553 26 HD2 PHE 4 HD2 PHE 4 -12.997 4.866 7.662 27 HE1 PHE 4 HE1 PHE 4 -10.176 8.718 6.253 28 HE2 PHE 4 HE2 PHE 4 -12.003 6.389 9.367 29 HZ PHE 4 HZ PHE 4 -10.594 8.290 8.679 30 H LYS 5 HN LYS 5 -13.728 2.894 3.429 31 HA LYS 5 HA LYS 5 -12.408 0.465 4.068 32 HB2 LYS 5 HB2 LYS 5 -14.677 1.157 2.155 33 HB3 LYS 5 HB3 LYS 5 -14.142 -0.502 2.447 34 HG2 LYS 5 HG2 LYS 5 -14.650 -0.363 4.807 35 HG3 LYS 5 HG3 LYS 5 -14.989 1.351 4.714 36 HD2 LYS 5 HD2 LYS 5 -16.614 -0.620 3.049 37 HD3 LYS 5 HD3 LYS 5 -16.941 -0.358 4.758 38 HE2 LYS 5 HE2 LYS 5 -16.753 2.224 4.032 39 HE3 LYS 5 HE3 LYS 5 -17.214 1.552 2.452 40 HZ1 LYS 5 HZ1 LYS 5 -18.700 1.338 4.990 41 HZ2 LYS 5 HZ2 LYS 5 -19.177 0.544 3.629 42 HZ3 LYS 5 HZ3 LYS 5 -19.175 2.199 3.695 43 H ALA 6 HN ALA 6 -12.744 2.178 0.913 44 HA ALA 6 HA ALA 6 -11.047 0.431 -0.567 45 HB1 ALA 6 HB1 ALA 6 -11.054 2.201 -2.245 46 HB2 ALA 6 HB2 ALA 6 -12.692 1.962 -1.604 47 HB3 ALA 6 HB3 ALA 6 -11.726 3.356 -1.077 48 H GLU 7 HN GLU 7 -10.309 3.447 1.317 49 HA GLU 7 HA GLU 7 -7.572 3.628 0.508 50 HB2 GLU 7 HB2 GLU 7 -9.193 4.613 2.841 51 HB3 GLU 7 HB3 GLU 7 -7.433 4.618 3.000 52 HG2 GLU 7 HG2 GLU 7 -7.117 6.100 1.184 53 HG3 GLU 7 HG3 GLU 7 -8.742 5.874 0.575 54 H ALA 8 HN ALA 8 -8.859 2.215 3.567 55 HA ALA 8 HA ALA 8 -6.556 1.096 4.521 56 HB1 ALA 8 HB1 ALA 8 -9.332 -0.179 4.639 57 HB2 ALA 8 HB2 ALA 8 -7.993 -0.415 5.778 58 HB3 ALA 8 HB3 ALA 8 -8.789 1.158 5.661 59 H ARG 9 HN ARG 9 -8.759 -0.372 2.130 60 HA ARG 9 HA ARG 9 -7.295 -2.837 1.934 61 HB2 ARG 9 HB2 ARG 9 -9.751 -2.350 1.295 62 HB3 ARG 9 HB3 ARG 9 -9.137 -1.677 -0.193 63 HG2 ARG 9 HG2 ARG 9 -9.834 -3.953 -0.596 64 HG3 ARG 9 HG3 ARG 9 -8.075 -3.911 -0.715 65 HD2 ARG 9 HD2 ARG 9 -8.887 -5.910 0.508 66 HD3 ARG 9 HD3 ARG 9 -7.857 -4.902 1.514 67 HE ARG 9 HE ARG 9 -9.681 -4.269 2.846 68 HH11 ARG 9 HH11 ARG 9 -10.844 -6.535 0.301 69 HH12 ARG 9 HH12 ARG 9 -12.405 -6.648 1.109 70 HH21 ARG 9 HH21 ARG 9 -11.695 -4.749 3.892 71 HH22 ARG 9 HH22 ARG 9 -12.810 -5.781 3.036 72 H ARG 10 HN ARG 10 -7.208 0.156 -0.093 73 HA ARG 10 HA ARG 10 -5.296 -0.744 -2.072 74 HB2 ARG 10 HB2 ARG 10 -6.831 1.197 -2.212 75 HB3 ARG 10 HB3 ARG 10 -5.924 2.049 -0.988 76 HG2 ARG 10 HG2 ARG 10 -4.683 1.138 -3.599 77 HG3 ARG 10 HG3 ARG 10 -5.646 2.598 -3.508 78 HD2 ARG 10 HD2 ARG 10 -3.062 2.131 -2.009 79 HD3 ARG 10 HD3 ARG 10 -3.285 3.142 -3.440 80 HE ARG 10 HE ARG 10 -4.196 3.624 -0.683 81 HH11 ARG 10 HH11 ARG 10 -3.506 5.167 -3.861 82 HH12 ARG 10 HH12 ARG 10 -3.865 6.729 -3.200 83 HH21 ARG 10 HH21 ARG 10 -4.560 5.784 0.040 84 HH22 ARG 10 HH22 ARG 10 -4.445 7.055 -1.129 85 H ASN 11 HN ASN 11 -4.907 1.077 0.973 86 HA ASN 11 HA ASN 11 -2.138 1.309 0.841 87 HB2 ASN 11 HB2 ASN 11 -3.918 1.338 3.318 88 HB3 ASN 11 HB3 ASN 11 -2.281 1.999 3.183 89 HD21 ASN 11 HD21 ASN 11 -3.661 4.097 4.021 90 HD22 ASN 11 HD22 ASN 11 -4.186 5.027 2.684 91 H LYS 12 HN LYS 12 -4.113 -1.128 2.640 92 HA LYS 12 HA LYS 12 -2.021 -2.733 3.629 93 HB2 LYS 12 HB2 LYS 12 -4.347 -2.907 4.340 94 HB3 LYS 12 HB3 LYS 12 -4.845 -3.466 2.741 95 HG2 LYS 12 HG2 LYS 12 -3.544 -5.541 3.044 96 HG3 LYS 12 HG3 LYS 12 -2.978 -4.963 4.628 97 HD2 LYS 12 HD2 LYS 12 -5.237 -4.954 5.502 98 HD3 LYS 12 HD3 LYS 12 -5.898 -5.379 3.906 99 HE2 LYS 12 HE2 LYS 12 -4.782 -7.547 3.966 100 HE3 LYS 12 HE3 LYS 12 -3.932 -7.118 5.460 101 HZ1 LYS 12 HZ1 LYS 12 -5.983 -7.101 6.616 102 HZ2 LYS 12 HZ2 LYS 12 -5.805 -8.522 5.853 103 HZ3 LYS 12 HZ3 LYS 12 -6.870 -7.408 5.251 104 H LEU 13 HN LEU 13 -3.828 -3.105 0.526 105 HA LEU 13 HA LEU 13 -2.502 -5.440 -0.346 106 HB2 LEU 13 HB2 LEU 13 -3.769 -3.155 -1.886 107 HB3 LEU 13 HB3 LEU 13 -3.084 -4.582 -2.677 108 HG LEU 13 HG LEU 13 -5.314 -4.824 -0.663 109 HD11 LEU 13 HD11 LEU 13 -5.411 -4.619 -3.721 110 HD12 LEU 13 HD12 LEU 13 -6.008 -3.409 -2.572 111 HD13 LEU 13 HD13 LEU 13 -6.778 -5.001 -2.659 112 HD21 LEU 13 HD21 LEU 13 -5.540 -7.027 -1.545 113 HD22 LEU 13 HD22 LEU 13 -3.844 -6.843 -1.161 114 HD23 LEU 13 HD23 LEU 13 -4.377 -6.707 -2.853 115 H MET 14 HN MET 14 -1.554 -1.924 -0.889 116 HA MET 14 HA MET 14 0.610 -2.611 -2.566 117 HB2 MET 14 HB2 MET 14 -0.390 -0.302 -2.159 118 HB3 MET 14 HB3 MET 14 0.537 -0.252 -0.649 119 HG2 MET 14 HG2 MET 14 2.448 -1.075 -2.512 120 HG3 MET 14 HG3 MET 14 1.436 -0.012 -3.473 121 HE1 MET 14 HE1 MET 14 3.435 1.372 -4.039 122 HE2 MET 14 HE2 MET 14 4.445 2.284 -2.901 123 HE3 MET 14 HE3 MET 14 4.602 0.519 -3.012 124 H GLY 15 HN GLY 15 0.369 -2.273 1.007 125 HA2 GLY 15 HA2 GLY 15 3.016 -2.678 1.747 126 HA3 GLY 15 HA1 GLY 15 1.610 -3.260 2.654 127 H LEU 16 HN LEU 16 0.585 -5.281 0.924 128 HA LEU 16 HA LEU 16 2.432 -7.395 1.421 129 HB2 LEU 16 HB2 LEU 16 -0.079 -7.182 -0.285 130 HB3 LEU 16 HB3 LEU 16 0.832 -8.665 -0.125 131 HG LEU 16 HG LEU 16 -0.359 -7.169 2.235 132 HD11 LEU 16 HD11 LEU 16 -2.127 -7.963 0.781 133 HD12 LEU 16 HD12 LEU 16 -2.044 -8.958 2.270 134 HD13 LEU 16 HD13 LEU 16 -1.407 -9.586 0.734 135 HD21 LEU 16 HD21 LEU 16 0.818 -9.989 2.021 136 HD22 LEU 16 HD22 LEU 16 -0.005 -9.326 3.452 137 HD23 LEU 16 HD23 LEU 16 1.516 -8.625 2.916 138 H TRP 17 HN TRP 17 1.873 -5.460 -1.548 139 HA TRP 17 HA TRP 17 3.581 -7.184 -3.186 140 HB2 TRP 17 HB2 TRP 17 2.029 -5.728 -4.339 141 HB3 TRP 17 HB3 TRP 17 2.666 -4.302 -3.523 142 HD1 TRP 17 HD1 TRP 17 3.891 -7.003 -6.016 143 HE1 TRP 17 HE1 TRP 17 5.755 -6.031 -7.473 144 HE3 TRP 17 HE3 TRP 17 4.255 -2.388 -3.879 145 HZ2 TRP 17 HZ2 TRP 17 7.196 -3.541 -7.698 146 HZ3 TRP 17 HZ3 TRP 17 5.969 -0.761 -4.661 147 HH2 TRP 17 HH2 TRP 17 7.425 -1.340 -6.611 148 H VAL 18 HN VAL 18 4.117 -4.094 -1.384 149 HA VAL 18 HA VAL 18 6.859 -3.865 -2.078 150 HB VAL 18 HB VAL 18 5.354 -2.868 0.368 151 HG11 VAL 18 HG11 VAL 18 8.061 -2.063 -0.765 152 HG12 VAL 18 HG12 VAL 18 7.207 -1.165 0.494 153 HG13 VAL 18 HG13 VAL 18 7.771 -2.806 0.818 154 HG21 VAL 18 HG21 VAL 18 6.112 -1.420 -2.201 155 HG22 VAL 18 HG22 VAL 18 4.468 -1.877 -1.709 156 HG23 VAL 18 HG23 VAL 18 5.358 -0.674 -0.773 157 H ALA 19 HN ALA 19 5.275 -5.591 0.663 158 HA ALA 19 HA ALA 19 7.598 -6.482 1.963 159 HB1 ALA 19 HB1 ALA 19 4.902 -7.876 1.671 160 HB2 ALA 19 HB2 ALA 19 6.110 -8.177 2.925 161 HB3 ALA 19 HB3 ALA 19 5.294 -6.612 2.868 162 H GLU 20 HN GLU 20 5.810 -8.057 -0.819 163 HA GLU 20 HA GLU 20 7.529 -10.318 -0.924 164 HB2 GLU 20 HB2 GLU 20 5.348 -10.342 -1.889 165 HB3 GLU 20 HB3 GLU 20 5.692 -8.965 -2.941 166 HG2 GLU 20 HG2 GLU 20 7.232 -10.212 -4.242 167 HG3 GLU 20 HG3 GLU 20 7.248 -11.568 -3.107 168 H VAL 21 HN VAL 21 7.686 -7.089 -2.452 169 HA VAL 21 HA VAL 21 10.063 -7.602 -3.975 170 HB VAL 21 HB VAL 21 8.770 -5.049 -2.927 171 HG11 VAL 21 HG11 VAL 21 11.071 -5.239 -4.906 172 HG12 VAL 21 HG12 VAL 21 10.153 -3.769 -4.454 173 HG13 VAL 21 HG13 VAL 21 11.174 -4.566 -3.270 174 HG21 VAL 21 HG21 VAL 21 8.926 -6.288 -5.710 175 HG22 VAL 21 HG22 VAL 21 7.496 -6.281 -4.664 176 HG23 VAL 21 HG23 VAL 21 8.132 -4.758 -5.282 177 H LEU 22 HN LEU 22 9.600 -6.656 -0.547 178 HA LEU 22 HA LEU 22 12.408 -6.131 -0.048 179 HB2 LEU 22 HB2 LEU 22 10.120 -6.914 1.786 180 HB3 LEU 22 HB3 LEU 22 11.753 -6.706 2.369 181 HG LEU 22 HG LEU 22 10.216 -4.501 0.950 182 HD11 LEU 22 HD11 LEU 22 9.031 -5.088 3.002 183 HD12 LEU 22 HD12 LEU 22 9.863 -3.554 3.222 184 HD13 LEU 22 HD13 LEU 22 10.544 -5.031 3.929 185 HD21 LEU 22 HD21 LEU 22 11.919 -3.046 2.105 186 HD22 LEU 22 HD22 LEU 22 12.648 -4.137 0.924 187 HD23 LEU 22 HD23 LEU 22 12.748 -4.499 2.653 188 H GLY 23 HN GLY 23 10.445 -9.095 -0.232 189 HA2 GLY 23 HA2 GLY 23 11.369 -11.299 -0.362 190 HA3 GLY 23 HA1 GLY 23 12.848 -10.750 0.437 191 H LYS 24 HN LYS 24 9.852 -9.552 1.743 192 HA LYS 24 HA LYS 24 10.038 -11.128 4.224 193 HB2 LYS 24 HB2 LYS 24 7.952 -9.258 3.038 194 HB3 LYS 24 HB3 LYS 24 7.742 -10.092 4.569 195 HG2 LYS 24 HG2 LYS 24 9.822 -9.034 5.416 196 HG3 LYS 24 HG3 LYS 24 9.961 -8.084 3.934 197 HD2 LYS 24 HD2 LYS 24 8.059 -6.763 4.444 198 HD3 LYS 24 HD3 LYS 24 7.387 -7.986 5.520 199 HE2 LYS 24 HE2 LYS 24 9.889 -7.424 6.648 200 HE3 LYS 24 HE3 LYS 24 9.367 -5.846 6.089 201 HZ1 LYS 24 HZ1 LYS 24 7.633 -5.874 7.635 202 HZ2 LYS 24 HZ2 LYS 24 8.777 -6.707 8.405 203 HZ3 LYS 24 HZ3 LYS 24 7.529 -7.515 7.681 204 H SER 25 HN SER 25 8.241 -12.625 4.838 205 HA SER 25 HA SER 25 6.426 -13.443 2.717 206 HB2 SER 25 HB2 SER 25 7.123 -15.905 3.278 207 HB3 SER 25 HB3 SER 25 8.014 -14.984 2.056 208 HG SER 25 HG SER 25 9.217 -16.221 3.735 209 H GLY 26 HN GLY 26 4.908 -15.190 3.694 210 HA2 GLY 26 HA2 GLY 26 3.361 -15.728 5.281 211 HA3 GLY 26 HA1 GLY 26 4.758 -15.790 6.373 212 H ASP 27 HN ASP 27 4.382 -14.721 8.158 213 HA ASP 27 HA ASP 27 2.285 -12.720 8.314 214 HB2 ASP 27 HB2 ASP 27 3.926 -14.272 10.257 215 HB3 ASP 27 HB3 ASP 27 3.467 -12.677 10.780 216 H GLU 28 HN GLU 28 5.880 -12.537 7.951 217 HA GLU 28 HA GLU 28 6.237 -9.995 9.083 218 HB2 GLU 28 HB2 GLU 28 7.661 -11.804 7.174 219 HB3 GLU 28 HB3 GLU 28 7.853 -10.099 6.804 220 HG2 GLU 28 HG2 GLU 28 8.382 -9.875 9.317 221 HG3 GLU 28 HG3 GLU 28 8.781 -11.599 9.249 222 H ALA 29 HN ALA 29 5.004 -11.116 5.992 223 HA ALA 29 HA ALA 29 4.872 -8.568 4.664 224 HB1 ALA 29 HB1 ALA 29 3.678 -9.778 2.967 225 HB2 ALA 29 HB2 ALA 29 4.850 -10.932 3.640 226 HB3 ALA 29 HB3 ALA 29 3.149 -11.017 4.111 227 H ASN 30 HN ASN 30 2.757 -10.311 6.800 228 HA ASN 30 HA ASN 30 0.331 -8.762 6.158 229 HB2 ASN 30 HB2 ASN 30 0.941 -11.052 8.016 230 HB3 ASN 30 HB3 ASN 30 -0.313 -9.934 8.528 231 HD21 ASN 30 HD21 ASN 30 -0.356 -12.896 7.311 232 HD22 ASN 30 HD22 ASN 30 -1.639 -12.716 6.163 233 H ALA 31 HN ALA 31 2.804 -8.930 8.734 234 HA ALA 31 HA ALA 31 1.767 -6.798 10.309 235 HB1 ALA 31 HB1 ALA 31 4.644 -7.731 9.947 236 HB2 ALA 31 HB2 ALA 31 4.016 -6.692 11.250 237 HB3 ALA 31 HB3 ALA 31 3.472 -8.382 11.124 238 H TYR 32 HN TYR 32 4.106 -6.874 7.587 239 HA TYR 32 HA TYR 32 4.619 -4.070 7.556 240 HB2 TYR 32 HB2 TYR 32 5.958 -5.826 6.419 241 HB3 TYR 32 HB3 TYR 32 4.681 -6.029 5.244 242 HD1 TYR 32 HD2 TYR 32 4.156 -4.149 3.673 243 HD2 TYR 32 HD1 TYR 32 7.460 -3.884 6.427 244 HE1 TYR 32 HE2 TYR 32 5.080 -2.211 2.408 245 HE2 TYR 32 HE1 TYR 32 8.371 -1.972 5.173 246 HH TYR 32 HH TYR 32 8.152 -0.989 2.758 247 H ALA 33 HN ALA 33 2.083 -6.031 5.987 248 HA ALA 33 HA ALA 33 0.886 -3.879 4.575 249 HB1 ALA 33 HB1 ALA 33 0.634 -6.312 4.078 250 HB2 ALA 33 HB2 ALA 33 -0.422 -6.472 5.501 251 HB3 ALA 33 HB3 ALA 33 -0.892 -5.442 4.132 252 H ALA 34 HN ALA 34 1.032 -4.216 7.940 253 HA ALA 34 HA ALA 34 -1.431 -2.576 8.324 254 HB1 ALA 34 HB1 ALA 34 -0.960 -4.339 10.020 255 HB2 ALA 34 HB2 ALA 34 0.575 -3.522 10.393 256 HB3 ALA 34 HB3 ALA 34 -0.952 -2.688 10.681 257 H GLU 35 HN GLU 35 2.177 -2.461 8.427 258 HA GLU 35 HA GLU 35 2.455 0.126 9.460 259 HB2 GLU 35 HB2 GLU 35 4.204 -1.281 7.397 260 HB3 GLU 35 HB3 GLU 35 4.618 0.190 8.260 261 HG2 GLU 35 HG2 GLU 35 4.358 -1.071 10.435 262 HG3 GLU 35 HG3 GLU 35 4.204 -2.558 9.473 263 H VAL 36 HN VAL 36 2.164 -0.805 5.981 264 HA VAL 36 HA VAL 36 2.408 1.892 5.068 265 HB VAL 36 HB VAL 36 1.059 -0.469 3.683 266 HG11 VAL 36 HG11 VAL 36 0.533 1.638 2.506 267 HG12 VAL 36 HG12 VAL 36 2.245 2.106 2.537 268 HG13 VAL 36 HG13 VAL 36 1.703 0.706 1.574 269 HG21 VAL 36 HG21 VAL 36 3.335 -0.636 2.551 270 HG22 VAL 36 HG22 VAL 36 3.954 0.494 3.765 271 HG23 VAL 36 HG23 VAL 36 3.334 -1.095 4.260 272 H VAL 37 HN VAL 37 -0.275 0.327 6.604 273 HA VAL 37 HA VAL 37 -2.320 2.170 5.542 274 HB VAL 37 HB VAL 37 -2.406 0.012 7.706 275 HG11 VAL 37 HG11 VAL 37 -4.206 1.487 8.033 276 HG12 VAL 37 HG12 VAL 37 -4.601 1.526 6.306 277 HG13 VAL 37 HG13 VAL 37 -4.876 0.048 7.254 278 HG21 VAL 37 HG21 VAL 37 -1.870 -0.901 5.392 279 HG22 VAL 37 HG22 VAL 37 -3.361 -1.487 6.101 280 HG23 VAL 37 HG23 VAL 37 -3.423 -0.218 4.856 281 H LYS 38 HN LYS 38 0.080 2.151 7.905 282 HA LYS 38 HA LYS 38 -1.340 3.961 9.733 283 HB2 LYS 38 HB2 LYS 38 0.334 1.589 10.003 284 HB3 LYS 38 HB3 LYS 38 0.924 2.910 10.992 285 HG2 LYS 38 HG2 LYS 38 -1.528 3.205 11.781 286 HG3 LYS 38 HG3 LYS 38 -1.856 1.694 10.937 287 HD2 LYS 38 HD2 LYS 38 -1.553 1.291 13.297 288 HD3 LYS 38 HD3 LYS 38 -0.221 0.524 12.406 289 HE2 LYS 38 HE2 LYS 38 1.370 2.003 13.192 290 HE3 LYS 38 HE3 LYS 38 0.239 3.350 13.277 291 HZ1 LYS 38 HZ1 LYS 38 0.221 1.118 15.214 292 HZ2 LYS 38 HZ2 LYS 38 -0.649 2.523 15.288 293 HZ3 LYS 38 HZ3 LYS 38 0.994 2.524 15.446 294 H ALA 39 HN ALA 39 -0.248 4.998 7.283 295 HA ALA 39 HA ALA 39 1.710 6.919 8.375 296 HB1 ALA 39 HB1 ALA 39 3.148 6.616 6.378 297 HB2 ALA 39 HB2 ALA 39 2.999 5.103 7.282 298 HB3 ALA 39 HB3 ALA 39 2.070 5.337 5.780 299 H ASP 40 HN ASP 40 -1.232 7.063 7.557 300 HA ASP 40 HA ASP 40 -1.027 8.976 5.290 301 HB2 ASP 40 HB2 ASP 40 -3.308 8.052 4.631 302 HB3 ASP 40 HB3 ASP 40 -1.888 7.090 4.329 303 H PHE 41 HN PHE 41 -1.345 9.220 8.365 304 HA PHE 41 HA PHE 41 -3.751 10.946 8.458 305 HB2 PHE 41 HB2 PHE 41 -1.924 10.193 10.768 306 HB3 PHE 41 HB3 PHE 41 -3.569 10.823 10.843 307 HD1 PHE 41 HD2 PHE 41 -1.493 7.872 9.878 308 HD2 PHE 41 HD1 PHE 41 -5.465 9.318 10.765 309 HE1 PHE 41 HE2 PHE 41 -2.391 5.611 9.589 310 HE2 PHE 41 HE1 PHE 41 -6.320 6.980 10.686 311 HZ PHE 41 HZ PHE 41 -4.781 5.125 10.059 312 H GLU 42 HN GLU 42 -0.235 11.078 8.802 313 HA GLU 42 HA GLU 42 -0.155 13.697 9.946 314 HB2 GLU 42 HB2 GLU 42 2.294 13.511 9.434 315 HB3 GLU 42 HB3 GLU 42 1.582 12.275 10.452 316 HG2 GLU 42 HG2 GLU 42 1.414 11.249 7.789 317 HG3 GLU 42 HG3 GLU 42 2.999 12.013 7.916 318 H GLU 43 HN GLU 43 -0.207 12.538 6.615 319 HA GLU 43 HA GLU 43 -0.548 15.274 5.612 320 HB2 GLU 43 HB2 GLU 43 1.757 13.409 4.937 321 HB3 GLU 43 HB3 GLU 43 1.068 14.418 3.651 322 HG2 GLU 43 HG2 GLU 43 1.718 16.423 4.603 323 HG3 GLU 43 HG3 GLU 43 1.797 15.769 6.240 324 H ALA 44 HN ALA 44 -2.044 15.235 4.020 325 HA ALA 44 HA ALA 44 -3.579 12.884 3.474 326 HB1 ALA 44 HB1 ALA 44 -3.544 15.676 2.232 327 HB2 ALA 44 HB2 ALA 44 -4.836 14.470 2.009 328 HB3 ALA 44 HB3 ALA 44 -4.532 15.149 3.614 329 H GLY 45 HN GLY 45 -4.199 12.419 1.085 330 HA2 GLY 45 HA2 GLY 45 -3.798 12.151 -1.161 331 HA3 GLY 45 HA1 GLY 45 -2.422 13.252 -1.028 332 H HIS 46 HN HIS 46 -0.395 12.349 -1.171 333 HA HIS 46 HA HIS 46 0.205 9.767 -0.085 334 HB2 HIS 46 HB2 HIS 46 1.028 8.709 -2.144 335 HB3 HIS 46 HB3 HIS 46 -0.705 8.876 -2.078 336 HD1 HIS 46 HD1 HIS 46 1.794 11.472 -3.559 337 HD2 HIS 46 HD2 HIS 46 -1.534 9.072 -4.466 338 HE1 HIS 46 HE1 HIS 46 1.146 12.044 -5.979 339 H GLU 47 HN GLU 47 1.448 11.405 1.129 340 HA GLU 47 HA GLU 47 3.915 12.286 -0.349 341 HB2 GLU 47 HB2 GLU 47 2.352 13.588 1.901 342 HB3 GLU 47 HB3 GLU 47 3.961 14.110 1.396 343 HG2 GLU 47 HG2 GLU 47 1.566 14.024 -0.503 344 HG3 GLU 47 HG3 GLU 47 1.975 15.421 0.483 345 H ASP 48 HN ASP 48 3.133 12.115 3.115 346 HA ASP 48 HA ASP 48 5.610 11.024 3.810 347 HB2 ASP 48 HB2 ASP 48 3.785 12.320 5.174 348 HB3 ASP 48 HB3 ASP 48 3.186 10.714 5.589 349 H VAL 49 HN VAL 49 2.808 9.329 2.708 350 HA VAL 49 HA VAL 49 3.452 6.667 3.621 351 HB VAL 49 HB VAL 49 2.013 7.617 1.087 352 HG11 VAL 49 HG11 VAL 49 2.035 4.827 2.321 353 HG12 VAL 49 HG12 VAL 49 1.011 5.355 0.977 354 HG13 VAL 49 HG13 VAL 49 2.752 5.284 0.759 355 HG21 VAL 49 HG21 VAL 49 0.855 8.287 3.155 356 HG22 VAL 49 HG22 VAL 49 -0.061 7.057 2.249 357 HG23 VAL 49 HG23 VAL 49 0.842 6.600 3.699 358 H MET 50 HN MET 50 4.331 8.544 0.630 359 HA MET 50 HA MET 50 5.466 6.258 -0.600 360 HB2 MET 50 HB2 MET 50 6.046 9.158 -1.290 361 HB3 MET 50 HB3 MET 50 6.265 7.737 -2.310 362 HG2 MET 50 HG2 MET 50 3.729 9.075 -1.419 363 HG3 MET 50 HG3 MET 50 4.272 8.730 -3.053 364 HE1 MET 50 HE1 MET 50 5.014 5.503 -2.616 365 HE2 MET 50 HE2 MET 50 3.493 4.830 -3.257 366 HE3 MET 50 HE3 MET 50 4.273 6.217 -4.074 367 H ARG 51 HN ARG 51 7.073 9.106 1.019 368 HA ARG 51 HA ARG 51 9.657 8.116 0.925 369 HB2 ARG 51 HB2 ARG 51 9.856 9.474 3.051 370 HB3 ARG 51 HB3 ARG 51 9.441 10.302 1.552 371 HG2 ARG 51 HG2 ARG 51 7.601 11.132 2.449 372 HG3 ARG 51 HG3 ARG 51 7.071 9.559 3.006 373 HD2 ARG 51 HD2 ARG 51 9.272 10.932 4.546 374 HD3 ARG 51 HD3 ARG 51 7.635 11.559 4.664 375 HE ARG 51 HE ARG 51 7.079 9.029 5.166 376 HH11 ARG 51 HH11 ARG 51 9.279 11.382 6.643 377 HH12 ARG 51 HH12 ARG 51 9.158 10.694 8.217 378 HH21 ARG 51 HH21 ARG 51 6.719 8.451 7.336 379 HH22 ARG 51 HH22 ARG 51 7.882 8.823 8.570 380 H LYS 52 HN LYS 52 7.023 7.090 3.144 381 HA LYS 52 HA LYS 52 8.766 5.637 4.902 382 HB2 LYS 52 HB2 LYS 52 6.542 6.302 5.577 383 HB3 LYS 52 HB3 LYS 52 5.782 5.306 4.349 384 HG2 LYS 52 HG2 LYS 52 7.538 4.106 6.522 385 HG3 LYS 52 HG3 LYS 52 5.835 4.481 6.771 386 HD2 LYS 52 HD2 LYS 52 5.283 3.031 4.757 387 HD3 LYS 52 HD3 LYS 52 6.956 2.455 4.792 388 HE2 LYS 52 HE2 LYS 52 4.959 2.225 7.081 389 HE3 LYS 52 HE3 LYS 52 5.406 0.939 5.951 390 HZ1 LYS 52 HZ1 LYS 52 7.703 1.155 6.768 391 HZ2 LYS 52 HZ2 LYS 52 6.682 0.626 7.899 392 HZ3 LYS 52 HZ3 LYS 52 7.192 2.188 7.938 393 H VAL 53 HN VAL 53 6.794 4.509 2.008 394 HA VAL 53 HA VAL 53 7.856 1.837 2.300 395 HB VAL 53 HB VAL 53 6.888 1.483 0.043 396 HG11 VAL 53 HG11 VAL 53 4.581 1.575 0.752 397 HG12 VAL 53 HG12 VAL 53 5.662 0.995 2.026 398 HG13 VAL 53 HG13 VAL 53 5.018 2.655 2.102 399 HG21 VAL 53 HG21 VAL 53 5.553 3.104 -1.085 400 HG22 VAL 53 HG22 VAL 53 5.701 4.263 0.242 401 HG23 VAL 53 HG23 VAL 53 7.099 3.897 -0.773 402 H LEU 54 HN LEU 54 8.864 4.697 0.449 403 HA LEU 54 HA LEU 54 10.663 3.268 -1.226 404 HB2 LEU 54 HB2 LEU 54 10.164 6.171 -0.613 405 HB3 LEU 54 HB3 LEU 54 11.695 5.741 -1.288 406 HG LEU 54 HG LEU 54 10.263 6.439 -3.016 407 HD11 LEU 54 HD11 LEU 54 10.600 3.443 -3.381 408 HD12 LEU 54 HD12 LEU 54 11.936 4.618 -3.468 409 HD13 LEU 54 HD13 LEU 54 10.602 4.706 -4.622 410 HD21 LEU 54 HD21 LEU 54 8.305 5.256 -3.819 411 HD22 LEU 54 HD22 LEU 54 8.074 5.981 -2.237 412 HD23 LEU 54 HD23 LEU 54 8.375 4.229 -2.368 413 H GLY 55 HN GLY 55 11.156 5.157 1.807 414 HA2 GLY 55 HA2 GLY 55 13.969 4.701 2.036 415 HA3 GLY 55 HA1 GLY 55 12.847 5.102 3.350 416 H ASP 56 HN ASP 56 11.061 2.885 3.261 417 HA ASP 56 HA ASP 56 12.558 0.894 4.618 418 HB2 ASP 56 HB2 ASP 56 9.765 0.962 3.446 419 HB3 ASP 56 HB3 ASP 56 10.451 -0.518 4.120 420 H LEU 57 HN LEU 57 11.582 1.130 1.123 421 HA LEU 57 HA LEU 57 12.556 -1.520 0.486 422 HB2 LEU 57 HB2 LEU 57 11.806 0.922 -1.153 423 HB3 LEU 57 HB3 LEU 57 12.714 -0.378 -1.889 424 HG LEU 57 HG LEU 57 9.886 -0.544 -0.830 425 HD11 LEU 57 HD11 LEU 57 9.419 -1.031 -3.169 426 HD12 LEU 57 HD12 LEU 57 11.148 -1.210 -3.526 427 HD13 LEU 57 HD13 LEU 57 10.516 0.387 -3.145 428 HD21 LEU 57 HD21 LEU 57 11.740 -2.817 -1.684 429 HD22 LEU 57 HD22 LEU 57 9.966 -2.943 -1.694 430 HD23 LEU 57 HD23 LEU 57 10.812 -2.665 -0.180 431 H ASP 58 HN ASP 58 14.218 1.543 0.953 432 HA ASP 58 HA ASP 58 16.435 1.931 1.071 433 HB2 ASP 58 HB2 ASP 58 16.122 -0.354 2.244 434 HB3 ASP 58 HB3 ASP 58 16.903 -1.033 0.835 435 H GLY 59 HN GLY 59 15.114 1.528 -1.645 436 HA2 GLY 59 HA2 GLY 59 15.995 2.167 -3.757 437 HA3 GLY 59 HA1 GLY 59 17.583 1.566 -3.287 438 H LYS 60 HN LYS 60 15.126 -0.784 -2.462 439 HA LYS 60 HA LYS 60 16.165 -2.647 -4.243 440 HB2 LYS 60 HB2 LYS 60 13.952 -2.502 -2.352 441 HB3 LYS 60 HB3 LYS 60 13.819 -3.727 -3.567 442 HG2 LYS 60 HG2 LYS 60 16.169 -4.485 -2.934 443 HG3 LYS 60 HG3 LYS 60 16.075 -3.424 -1.543 444 HD2 LYS 60 HD2 LYS 60 14.448 -4.730 -0.500 445 HD3 LYS 60 HD3 LYS 60 13.861 -5.434 -2.009 446 HE2 LYS 60 HE2 LYS 60 16.580 -6.064 -0.802 447 HE3 LYS 60 HE3 LYS 60 15.129 -7.017 -0.498 448 HZ1 LYS 60 HZ1 LYS 60 15.026 -7.528 -2.853 449 HZ2 LYS 60 HZ2 LYS 60 16.476 -7.969 -2.280 450 HZ3 LYS 60 HZ3 LYS 60 16.328 -6.614 -3.189 451 H ARG 61 HN ARG 61 13.594 -0.304 -4.849 452 HA ARG 61 HA ARG 61 13.476 -1.350 -7.560 453 HB2 ARG 61 HB2 ARG 61 10.965 -1.027 -5.846 454 HB3 ARG 61 HB3 ARG 61 10.885 -0.942 -7.593 455 HG2 ARG 61 HG2 ARG 61 11.903 -3.335 -6.043 456 HG3 ARG 61 HG3 ARG 61 10.285 -3.164 -6.742 457 HD2 ARG 61 HD2 ARG 61 11.213 -3.057 -8.992 458 HD3 ARG 61 HD3 ARG 61 12.863 -3.142 -8.365 459 HE ARG 61 HE ARG 61 12.247 -5.329 -7.350 460 HH11 ARG 61 HH11 ARG 61 10.658 -4.249 -10.357 461 HH12 ARG 61 HH12 ARG 61 10.589 -5.806 -11.057 462 HH21 ARG 61 HH21 ARG 61 11.935 -7.474 -8.184 463 HH22 ARG 61 HH22 ARG 61 11.237 -7.677 -9.743 464 HA PRO 62 HA PRO 62 13.494 2.943 -8.494 465 HB2 PRO 62 HB2 PRO 62 11.976 3.006 -10.821 466 HB3 PRO 62 HB3 PRO 62 13.708 2.559 -10.754 467 HG2 PRO 62 HG2 PRO 62 11.290 0.788 -10.882 468 HG3 PRO 62 HG3 PRO 62 12.875 0.567 -11.690 469 HD2 PRO 62 HD2 PRO 62 12.140 -0.783 -9.443 470 HD3 PRO 62 HD3 PRO 62 13.828 -0.293 -9.749 471 H GLU 63 HN GLU 63 12.183 4.723 -8.233 472 HA GLU 63 HA GLU 63 9.775 4.416 -6.745 473 HB2 GLU 63 HB2 GLU 63 11.237 6.392 -6.561 474 HB3 GLU 63 HB3 GLU 63 10.837 6.851 -8.233 475 HG2 GLU 63 HG2 GLU 63 8.445 7.069 -7.601 476 HG3 GLU 63 HG3 GLU 63 8.811 6.523 -5.964 477 H ALA 64 HN ALA 64 10.382 4.969 -10.235 478 HA ALA 64 HA ALA 64 7.739 5.589 -10.964 479 HB1 ALA 64 HB1 ALA 64 8.401 4.802 -13.251 480 HB2 ALA 64 HB2 ALA 64 9.563 5.924 -12.525 481 HB3 ALA 64 HB3 ALA 64 9.913 4.181 -12.560 482 H GLU 65 HN GLU 65 9.234 2.293 -10.557 483 HA GLU 65 HA GLU 65 6.857 0.907 -11.370 484 HB2 GLU 65 HB2 GLU 65 9.219 0.001 -11.252 485 HB3 GLU 65 HB3 GLU 65 9.112 0.025 -9.483 486 HG2 GLU 65 HG2 GLU 65 7.173 -1.527 -9.621 487 HG3 GLU 65 HG3 GLU 65 7.293 -1.483 -11.382 488 H VAL 66 HN VAL 66 8.175 1.912 -8.218 489 HA VAL 66 HA VAL 66 6.236 0.712 -6.592 490 HB VAL 66 HB VAL 66 8.012 3.139 -6.167 491 HG11 VAL 66 HG11 VAL 66 6.572 1.475 -4.066 492 HG12 VAL 66 HG12 VAL 66 7.764 2.751 -3.793 493 HG13 VAL 66 HG13 VAL 66 6.220 3.186 -4.481 494 HG21 VAL 66 HG21 VAL 66 9.565 1.650 -5.099 495 HG22 VAL 66 HG22 VAL 66 8.429 0.285 -5.190 496 HG23 VAL 66 HG23 VAL 66 9.182 0.927 -6.653 497 H ARG 67 HN ARG 67 6.292 4.200 -7.620 498 HA ARG 67 HA ARG 67 3.812 4.658 -6.217 499 HB2 ARG 67 HB2 ARG 67 3.724 6.845 -7.201 500 HB3 ARG 67 HB3 ARG 67 5.329 6.507 -6.557 501 HG2 ARG 67 HG2 ARG 67 6.246 6.246 -8.787 502 HG3 ARG 67 HG3 ARG 67 4.643 6.274 -9.512 503 HD2 ARG 67 HD2 ARG 67 5.773 8.327 -9.893 504 HD3 ARG 67 HD3 ARG 67 4.348 8.608 -8.882 505 HE ARG 67 HE ARG 67 6.150 8.549 -6.955 506 HH11 ARG 67 HH11 ARG 67 6.521 10.115 -10.178 507 HH12 ARG 67 HH12 ARG 67 7.543 11.366 -9.529 508 HH21 ARG 67 HH21 ARG 67 7.774 10.167 -6.329 509 HH22 ARG 67 HH22 ARG 67 8.029 11.502 -7.375 510 H ALA 68 HN ALA 68 4.515 3.650 -9.570 511 HA ALA 68 HA ALA 68 1.848 4.060 -10.555 512 HB1 ALA 68 HB1 ALA 68 2.503 2.401 -12.253 513 HB2 ALA 68 HB2 ALA 68 3.777 3.616 -12.045 514 HB3 ALA 68 HB3 ALA 68 3.966 2.006 -11.313 515 H LYS 69 HN LYS 69 3.500 1.291 -8.934 516 HA LYS 69 HA LYS 69 1.437 -0.550 -9.017 517 HB2 LYS 69 HB2 LYS 69 3.846 -0.753 -8.003 518 HB3 LYS 69 HB3 LYS 69 3.099 -0.208 -6.503 519 HG2 LYS 69 HG2 LYS 69 2.808 -2.472 -6.251 520 HG3 LYS 69 HG3 LYS 69 1.305 -2.109 -7.052 521 HD2 LYS 69 HD2 LYS 69 2.507 -2.669 -9.289 522 HD3 LYS 69 HD3 LYS 69 3.876 -3.178 -8.304 523 HE2 LYS 69 HE2 LYS 69 2.757 -5.197 -8.614 524 HE3 LYS 69 HE3 LYS 69 2.155 -4.677 -7.037 525 HZ1 LYS 69 HZ1 LYS 69 0.280 -3.619 -8.511 526 HZ2 LYS 69 HZ2 LYS 69 0.260 -5.247 -8.203 527 HZ3 LYS 69 HZ3 LYS 69 0.821 -4.673 -9.636 528 H TYR 70 HN TYR 70 2.017 1.955 -6.515 529 HA TYR 70 HA TYR 70 -0.185 1.405 -4.849 530 HB2 TYR 70 HB2 TYR 70 1.844 2.860 -4.375 531 HB3 TYR 70 HB3 TYR 70 1.113 4.117 -5.342 532 HD1 TYR 70 HD1 TYR 70 -0.025 1.790 -2.568 533 HD2 TYR 70 HD2 TYR 70 0.235 5.860 -4.004 534 HE1 TYR 70 HE1 TYR 70 -0.933 2.613 -0.430 535 HE2 TYR 70 HE2 TYR 70 -0.724 6.652 -1.874 536 HH TYR 70 HH TYR 70 -1.593 6.037 0.290 537 H GLU 71 HN GLU 71 0.133 3.903 -7.400 538 HA GLU 71 HA GLU 71 -2.435 4.975 -7.234 539 HB2 GLU 71 HB2 GLU 71 -0.487 4.697 -9.552 540 HB3 GLU 71 HB3 GLU 71 -1.964 5.657 -9.647 541 HG2 GLU 71 HG2 GLU 71 -0.275 6.335 -7.296 542 HG3 GLU 71 HG3 GLU 71 0.521 6.571 -8.849 543 H GLY 72 HN GLY 72 -1.267 2.285 -9.309 544 HA2 GLY 72 HA2 GLY 72 -3.712 1.859 -10.723 545 HA3 GLY 72 HA1 GLY 72 -2.369 0.717 -10.539 546 H LEU 73 HN LEU 73 -2.616 0.839 -7.521 547 HA LEU 73 HA LEU 73 -4.286 -1.441 -7.349 548 HB2 LEU 73 HB2 LEU 73 -2.170 -0.559 -5.951 549 HB3 LEU 73 HB3 LEU 73 -3.373 0.039 -4.870 550 HG LEU 73 HG LEU 73 -4.237 -2.309 -4.513 551 HD11 LEU 73 HD11 LEU 73 -2.864 -4.207 -5.444 552 HD12 LEU 73 HD12 LEU 73 -1.977 -3.070 -6.472 553 HD13 LEU 73 HD13 LEU 73 -3.703 -3.360 -6.735 554 HD21 LEU 73 HD21 LEU 73 -1.182 -1.760 -4.430 555 HD22 LEU 73 HD22 LEU 73 -1.903 -3.117 -3.626 556 HD23 LEU 73 HD23 LEU 73 -2.369 -1.464 -3.148 557 H MET 74 HN MET 74 -5.106 1.911 -6.942 558 HA MET 74 HA MET 74 -7.186 1.649 -5.004 559 HB2 MET 74 HB2 MET 74 -6.332 3.785 -5.751 560 HB3 MET 74 HB3 MET 74 -6.954 3.537 -7.389 561 HG2 MET 74 HG2 MET 74 -9.232 3.637 -6.621 562 HG3 MET 74 HG3 MET 74 -8.747 3.583 -4.931 563 HE1 MET 74 HE1 MET 74 -6.630 5.530 -4.296 564 HE2 MET 74 HE2 MET 74 -7.400 7.128 -4.191 565 HE3 MET 74 HE3 MET 74 -8.198 5.714 -3.486 566 H ALA 75 HN ALA 75 -7.187 1.023 -8.524 567 HA ALA 75 HA ALA 75 -9.978 0.433 -8.772 568 HB1 ALA 75 HB1 ALA 75 -7.548 -0.592 -10.289 569 HB2 ALA 75 HB2 ALA 75 -9.214 -0.815 -10.806 570 HB3 ALA 75 HB3 ALA 75 -8.532 0.826 -10.733 571 H VAL 76 HN VAL 76 -7.109 -1.680 -8.228 572 HA VAL 76 HA VAL 76 -8.482 -4.142 -8.123 573 HB VAL 76 HB VAL 76 -5.946 -3.394 -6.596 574 HG11 VAL 76 HG11 VAL 76 -6.765 -5.554 -5.911 575 HG12 VAL 76 HG12 VAL 76 -7.022 -6.053 -7.588 576 HG13 VAL 76 HG13 VAL 76 -5.375 -5.797 -6.973 577 HG21 VAL 76 HG21 VAL 76 -5.551 -2.718 -8.897 578 HG22 VAL 76 HG22 VAL 76 -4.766 -4.284 -8.681 579 HG23 VAL 76 HG23 VAL 76 -6.324 -4.183 -9.521 580 H ALA 77 HN ALA 77 -7.539 -1.886 -5.522 581 HA ALA 77 HA ALA 77 -8.211 -3.293 -3.317 582 HB1 ALA 77 HB1 ALA 77 -8.577 -0.305 -3.802 583 HB2 ALA 77 HB2 ALA 77 -8.520 -1.073 -2.219 584 HB3 ALA 77 HB3 ALA 77 -7.095 -1.134 -3.280 585 H LYS 78 HN LYS 78 -10.267 -1.190 -5.296 586 HA LYS 78 HA LYS 78 -12.747 -1.597 -3.808 587 HB2 LYS 78 HB2 LYS 78 -11.985 -0.303 -6.477 588 HB3 LYS 78 HB3 LYS 78 -13.633 -0.393 -5.884 589 HG2 LYS 78 HG2 LYS 78 -13.000 0.866 -3.832 590 HG3 LYS 78 HG3 LYS 78 -11.338 0.997 -4.449 591 HD2 LYS 78 HD2 LYS 78 -12.478 3.043 -5.008 592 HD3 LYS 78 HD3 LYS 78 -12.243 2.127 -6.503 593 HE2 LYS 78 HE2 LYS 78 -14.667 1.225 -6.142 594 HE3 LYS 78 HE3 LYS 78 -14.799 2.429 -4.858 595 HZ1 LYS 78 HZ1 LYS 78 -14.364 2.887 -7.732 596 HZ2 LYS 78 HZ2 LYS 78 -14.177 4.103 -6.595 597 HZ3 LYS 78 HZ3 LYS 78 -15.627 3.375 -6.805 598 H ALA 79 HN ALA 79 -11.221 -3.311 -6.501 599 HA ALA 79 HA ALA 79 -13.629 -4.692 -7.324 600 HB1 ALA 79 HB1 ALA 79 -11.394 -4.704 -8.582 601 HB2 ALA 79 HB2 ALA 79 -10.788 -5.811 -7.341 602 HB3 ALA 79 HB3 ALA 79 -12.169 -6.287 -8.338 603 H GLN 80 HN GLN 80 -10.921 -5.456 -5.066 604 HA GLN 80 HA GLN 80 -11.889 -7.842 -4.104 605 HB2 GLN 80 HB2 GLN 80 -10.425 -5.788 -2.395 606 HB3 GLN 80 HB3 GLN 80 -10.589 -7.517 -2.095 607 HG2 GLN 80 HG2 GLN 80 -9.484 -7.819 -4.424 608 HG3 GLN 80 HG3 GLN 80 -8.981 -6.138 -4.252 609 HE21 GLN 80 HE21 GLN 80 -7.351 -8.683 -4.232 610 HE22 GLN 80 HE22 GLN 80 -6.439 -8.576 -2.738 611 H LEU 81 HN LEU 81 -12.802 -4.636 -2.891 612 HA LEU 81 HA LEU 81 -14.204 -5.687 -0.568 613 HB2 LEU 81 HB2 LEU 81 -14.129 -3.012 -2.147 614 HB3 LEU 81 HB3 LEU 81 -15.192 -3.153 -0.782 615 HG LEU 81 HG LEU 81 -12.288 -3.831 -0.357 616 HD11 LEU 81 HD11 LEU 81 -11.786 -1.512 0.146 617 HD12 LEU 81 HD12 LEU 81 -13.403 -0.991 -0.400 618 HD13 LEU 81 HD13 LEU 81 -12.233 -1.669 -1.558 619 HD21 LEU 81 HD21 LEU 81 -14.419 -2.424 1.339 620 HD22 LEU 81 HD22 LEU 81 -12.796 -2.931 1.863 621 HD23 LEU 81 HD23 LEU 81 -14.012 -4.141 1.430 622 H MET 82 HN MET 82 -15.213 -5.215 -3.930 623 HA MET 82 HA MET 82 -18.075 -5.599 -3.174 624 HB2 MET 82 HB2 MET 82 -16.721 -5.238 -5.872 625 HB3 MET 82 HB3 MET 82 -18.456 -5.198 -5.574 626 HG2 MET 82 HG2 MET 82 -16.535 -3.220 -4.290 627 HG3 MET 82 HG3 MET 82 -17.166 -3.004 -5.881 628 HE1 MET 82 HE1 MET 82 -19.355 -2.238 -1.926 629 HE2 MET 82 HE2 MET 82 -18.850 -3.909 -2.228 630 HE3 MET 82 HE3 MET 82 -17.632 -2.611 -2.161 631 H ASP 83 HN ASP 83 -15.292 -7.276 -4.326 632 HA ASP 83 HA ASP 83 -16.575 -9.700 -5.299 633 HB2 ASP 83 HB2 ASP 83 -14.598 -8.744 -6.344 634 HB3 ASP 83 HB3 ASP 83 -13.755 -8.690 -4.801 635 H GLU 84 HN GLU 84 -15.166 -8.520 -2.258 636 HA GLU 84 HA GLU 84 -14.881 -11.066 -0.983 637 HB2 GLU 84 HB2 GLU 84 -14.318 -9.822 0.913 638 HB3 GLU 84 HB3 GLU 84 -13.696 -8.905 -0.373 639 HG2 GLU 84 HG2 GLU 84 -15.490 -7.284 -0.053 640 HG3 GLU 84 HG3 GLU 84 -16.399 -8.432 0.925 641 H LEU 85 HN LEU 85 -17.576 -9.458 -1.803 642 HA LEU 85 HA LEU 85 -19.190 -9.523 0.563 643 HB2 LEU 85 HB2 LEU 85 -19.336 -7.883 -1.355 644 HB3 LEU 85 HB3 LEU 85 -20.010 -9.172 -2.354 645 HG LEU 85 HG LEU 85 -22.070 -9.203 -1.070 646 HD11 LEU 85 HD11 LEU 85 -22.463 -7.681 0.839 647 HD12 LEU 85 HD12 LEU 85 -20.737 -7.219 0.825 648 HD13 LEU 85 HD13 LEU 85 -21.231 -8.884 1.216 649 HD21 LEU 85 HD21 LEU 85 -21.213 -6.337 -1.560 650 HD22 LEU 85 HD22 LEU 85 -22.880 -6.956 -1.465 651 HD23 LEU 85 HD23 LEU 85 -21.823 -7.476 -2.786 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -17.174 4.426 4.968 2 HA2 GLY 1 HA2 GLY 1 -18.752 3.829 3.247 3 HA3 GLY 1 HA1 GLY 1 -18.663 5.497 2.649 4 H MET 2 HN MET 2 -18.137 4.748 0.623 5 HA MET 2 HA MET 2 -16.246 3.101 -0.382 6 HB2 MET 2 HB2 MET 2 -18.032 4.633 -1.484 7 HB3 MET 2 HB3 MET 2 -16.819 5.882 -1.483 8 HG2 MET 2 HG2 MET 2 -16.486 5.045 -3.576 9 HG3 MET 2 HG3 MET 2 -15.336 4.050 -2.693 10 HE1 MET 2 HE1 MET 2 -19.389 3.512 -2.732 11 HE2 MET 2 HE2 MET 2 -18.902 4.327 -4.224 12 HE3 MET 2 HE3 MET 2 -19.476 2.647 -4.271 13 H GLN 3 HN GLN 3 -15.695 6.601 0.172 14 HA GLN 3 HA GLN 3 -12.981 6.660 -0.415 15 HB2 GLN 3 HB2 GLN 3 -15.101 8.457 0.548 16 HB3 GLN 3 HB3 GLN 3 -13.566 8.866 1.280 17 HG2 GLN 3 HG2 GLN 3 -13.856 10.123 -0.763 18 HG3 GLN 3 HG3 GLN 3 -12.496 9.012 -0.924 19 HE21 GLN 3 HE21 GLN 3 -12.621 9.137 -3.233 20 HE22 GLN 3 HE22 GLN 3 -13.899 8.361 -4.139 21 H PHE 4 HN PHE 4 -13.991 4.962 2.142 22 HA PHE 4 HA PHE 4 -11.478 5.464 3.702 23 HB2 PHE 4 HB2 PHE 4 -14.241 5.400 4.528 24 HB3 PHE 4 HB3 PHE 4 -13.310 4.185 5.369 25 HD1 PHE 4 HD1 PHE 4 -12.614 7.721 4.273 26 HD2 PHE 4 HD2 PHE 4 -12.703 4.883 7.503 27 HE1 PHE 4 HE1 PHE 4 -11.666 9.420 5.762 28 HE2 PHE 4 HE2 PHE 4 -11.893 6.670 9.058 29 HZ PHE 4 HZ PHE 4 -11.360 8.929 8.197 30 H LYS 5 HN LYS 5 -14.065 3.185 2.727 31 HA LYS 5 HA LYS 5 -12.767 0.782 3.524 32 HB2 LYS 5 HB2 LYS 5 -14.895 1.437 1.478 33 HB3 LYS 5 HB3 LYS 5 -14.275 -0.202 1.666 34 HG2 LYS 5 HG2 LYS 5 -15.454 1.410 3.971 35 HG3 LYS 5 HG3 LYS 5 -16.314 0.286 2.942 36 HD2 LYS 5 HD2 LYS 5 -15.870 -1.244 4.467 37 HD3 LYS 5 HD3 LYS 5 -14.289 -1.372 3.705 38 HE2 LYS 5 HE2 LYS 5 -13.285 0.076 5.389 39 HE3 LYS 5 HE3 LYS 5 -14.884 0.553 5.995 40 HZ1 LYS 5 HZ1 LYS 5 -15.214 -1.764 6.644 41 HZ2 LYS 5 HZ2 LYS 5 -14.010 -1.040 7.462 42 HZ3 LYS 5 HZ3 LYS 5 -13.642 -2.113 6.274 43 H ALA 6 HN ALA 6 -12.982 2.470 0.367 44 HA ALA 6 HA ALA 6 -11.216 0.834 -1.098 45 HB1 ALA 6 HB1 ALA 6 -11.792 3.810 -1.449 46 HB2 ALA 6 HB2 ALA 6 -11.107 2.718 -2.663 47 HB3 ALA 6 HB3 ALA 6 -12.780 2.490 -2.113 48 H GLU 7 HN GLU 7 -10.605 3.857 0.795 49 HA GLU 7 HA GLU 7 -7.855 4.158 0.335 50 HB2 GLU 7 HB2 GLU 7 -9.814 4.769 2.618 51 HB3 GLU 7 HB3 GLU 7 -8.103 4.984 2.936 52 HG2 GLU 7 HG2 GLU 7 -9.653 6.310 0.689 53 HG3 GLU 7 HG3 GLU 7 -9.298 7.041 2.267 54 H ALA 8 HN ALA 8 -9.330 2.457 3.148 55 HA ALA 8 HA ALA 8 -6.949 1.471 4.182 56 HB1 ALA 8 HB1 ALA 8 -9.727 0.215 4.276 57 HB2 ALA 8 HB2 ALA 8 -8.345 -0.244 5.300 58 HB3 ALA 8 HB3 ALA 8 -9.023 1.381 5.427 59 H ARG 9 HN ARG 9 -9.100 -0.201 1.766 60 HA ARG 9 HA ARG 9 -7.269 -2.453 1.646 61 HB2 ARG 9 HB2 ARG 9 -9.709 -2.581 1.095 62 HB3 ARG 9 HB3 ARG 9 -9.385 -1.707 -0.397 63 HG2 ARG 9 HG2 ARG 9 -9.605 -4.108 -0.772 64 HG3 ARG 9 HG3 ARG 9 -7.984 -3.580 -1.210 65 HD2 ARG 9 HD2 ARG 9 -7.012 -4.660 0.666 66 HD3 ARG 9 HD3 ARG 9 -8.549 -4.771 1.516 67 HE ARG 9 HE ARG 9 -8.997 -6.306 -0.719 68 HH11 ARG 9 HH11 ARG 9 -7.131 -6.592 2.204 69 HH12 ARG 9 HH12 ARG 9 -6.417 -8.122 1.828 70 HH21 ARG 9 HH21 ARG 9 -8.443 -8.622 -1.039 71 HH22 ARG 9 HH22 ARG 9 -7.434 -9.340 0.135 72 H ARG 10 HN ARG 10 -7.370 0.665 -0.133 73 HA ARG 10 HA ARG 10 -5.527 -0.115 -2.208 74 HB2 ARG 10 HB2 ARG 10 -7.079 2.055 -1.941 75 HB3 ARG 10 HB3 ARG 10 -5.707 2.729 -1.108 76 HG2 ARG 10 HG2 ARG 10 -5.313 1.419 -3.810 77 HG3 ARG 10 HG3 ARG 10 -6.114 2.974 -3.749 78 HD2 ARG 10 HD2 ARG 10 -3.547 2.726 -2.241 79 HD3 ARG 10 HD3 ARG 10 -3.451 2.763 -4.014 80 HE ARG 10 HE ARG 10 -4.419 4.879 -2.179 81 HH11 ARG 10 HH11 ARG 10 -3.538 4.141 -5.579 82 HH12 ARG 10 HH12 ARG 10 -3.930 5.766 -6.074 83 HH21 ARG 10 HH21 ARG 10 -4.639 6.988 -2.883 84 HH22 ARG 10 HH22 ARG 10 -4.633 7.355 -4.575 85 H ASN 11 HN ASN 11 -5.044 1.633 0.896 86 HA ASN 11 HA ASN 11 -2.216 1.497 0.642 87 HB2 ASN 11 HB2 ASN 11 -3.870 1.907 3.175 88 HB3 ASN 11 HB3 ASN 11 -2.134 2.171 3.015 89 HD21 ASN 11 HD21 ASN 11 -4.937 4.102 3.013 90 HD22 ASN 11 HD22 ASN 11 -4.604 5.122 1.704 91 H LYS 12 HN LYS 12 -4.528 -0.764 2.254 92 HA LYS 12 HA LYS 12 -2.572 -2.468 3.347 93 HB2 LYS 12 HB2 LYS 12 -4.923 -2.631 3.926 94 HB3 LYS 12 HB3 LYS 12 -5.309 -3.252 2.307 95 HG2 LYS 12 HG2 LYS 12 -4.097 -5.263 2.674 96 HG3 LYS 12 HG3 LYS 12 -3.250 -4.612 4.082 97 HD2 LYS 12 HD2 LYS 12 -5.213 -4.686 5.457 98 HD3 LYS 12 HD3 LYS 12 -6.241 -5.031 4.054 99 HE2 LYS 12 HE2 LYS 12 -4.951 -7.148 3.674 100 HE3 LYS 12 HE3 LYS 12 -4.014 -6.837 5.135 101 HZ1 LYS 12 HZ1 LYS 12 -5.813 -8.390 5.427 102 HZ2 LYS 12 HZ2 LYS 12 -6.947 -7.300 5.070 103 HZ3 LYS 12 HZ3 LYS 12 -5.983 -7.108 6.436 104 H LEU 13 HN LEU 13 -4.136 -2.755 0.087 105 HA LEU 13 HA LEU 13 -2.602 -5.000 -0.690 106 HB2 LEU 13 HB2 LEU 13 -3.885 -2.831 -2.353 107 HB3 LEU 13 HB3 LEU 13 -3.129 -4.293 -3.024 108 HG LEU 13 HG LEU 13 -5.572 -4.233 -1.223 109 HD11 LEU 13 HD11 LEU 13 -6.724 -4.926 -3.271 110 HD12 LEU 13 HD12 LEU 13 -5.185 -4.923 -4.158 111 HD13 LEU 13 HD13 LEU 13 -5.861 -3.399 -3.570 112 HD21 LEU 13 HD21 LEU 13 -4.273 -6.277 -0.786 113 HD22 LEU 13 HD22 LEU 13 -4.232 -6.612 -2.534 114 HD23 LEU 13 HD23 LEU 13 -5.767 -6.588 -1.627 115 H MET 14 HN MET 14 -1.613 -1.479 -0.968 116 HA MET 14 HA MET 14 0.619 -1.896 -2.511 117 HB2 MET 14 HB2 MET 14 -0.134 0.273 -1.818 118 HB3 MET 14 HB3 MET 14 0.160 -0.060 -0.122 119 HG2 MET 14 HG2 MET 14 1.816 1.443 -1.280 120 HG3 MET 14 HG3 MET 14 2.467 0.144 -0.305 121 HE1 MET 14 HE1 MET 14 4.577 1.535 -2.450 122 HE2 MET 14 HE2 MET 14 4.119 1.208 -4.137 123 HE3 MET 14 HE3 MET 14 3.035 2.153 -3.093 124 H GLY 15 HN GLY 15 0.578 -2.178 1.110 125 HA2 GLY 15 HA2 GLY 15 3.216 -2.932 1.431 126 HA3 GLY 15 HA1 GLY 15 1.927 -3.388 2.518 127 H LEU 16 HN LEU 16 0.502 -5.109 0.401 128 HA LEU 16 HA LEU 16 1.935 -7.522 0.930 129 HB2 LEU 16 HB2 LEU 16 -0.351 -6.831 -0.962 130 HB3 LEU 16 HB3 LEU 16 0.431 -8.382 -0.984 131 HG LEU 16 HG LEU 16 -1.461 -8.732 0.252 132 HD11 LEU 16 HD11 LEU 16 0.720 -9.599 1.337 133 HD12 LEU 16 HD12 LEU 16 -0.744 -9.554 2.354 134 HD13 LEU 16 HD13 LEU 16 0.485 -8.301 2.512 135 HD21 LEU 16 HD21 LEU 16 -0.854 -6.330 2.014 136 HD22 LEU 16 HD22 LEU 16 -2.198 -7.473 2.219 137 HD23 LEU 16 HD23 LEU 16 -2.135 -6.454 0.782 138 H TRP 17 HN TRP 17 1.811 -5.424 -2.010 139 HA TRP 17 HA TRP 17 3.525 -7.100 -3.613 140 HB2 TRP 17 HB2 TRP 17 2.238 -5.324 -4.685 141 HB3 TRP 17 HB3 TRP 17 2.967 -4.107 -3.649 142 HD1 TRP 17 HD1 TRP 17 3.980 -6.509 -6.494 143 HE1 TRP 17 HE1 TRP 17 6.060 -5.542 -7.718 144 HE3 TRP 17 HE3 TRP 17 4.757 -2.303 -3.683 145 HZ2 TRP 17 HZ2 TRP 17 7.776 -3.304 -7.496 146 HZ3 TRP 17 HZ3 TRP 17 6.635 -0.783 -4.186 147 HH2 TRP 17 HH2 TRP 17 8.162 -1.273 -6.114 148 H VAL 18 HN VAL 18 4.176 -4.353 -1.420 149 HA VAL 18 HA VAL 18 6.960 -4.224 -1.886 150 HB VAL 18 HB VAL 18 5.448 -3.524 0.643 151 HG11 VAL 18 HG11 VAL 18 7.825 -3.381 1.019 152 HG12 VAL 18 HG12 VAL 18 8.072 -2.499 -0.504 153 HG13 VAL 18 HG13 VAL 18 7.201 -1.744 0.841 154 HG21 VAL 18 HG21 VAL 18 6.017 -1.480 -1.507 155 HG22 VAL 18 HG22 VAL 18 4.526 -2.420 -1.528 156 HG23 VAL 18 HG23 VAL 18 4.877 -1.437 -0.133 157 H ALA 19 HN ALA 19 5.134 -5.976 0.712 158 HA ALA 19 HA ALA 19 7.291 -6.936 2.168 159 HB1 ALA 19 HB1 ALA 19 5.669 -8.779 2.800 160 HB2 ALA 19 HB2 ALA 19 5.037 -7.134 2.982 161 HB3 ALA 19 HB3 ALA 19 4.550 -8.148 1.593 162 H GLU 20 HN GLU 20 5.760 -8.376 -0.705 163 HA GLU 20 HA GLU 20 7.391 -10.713 -0.920 164 HB2 GLU 20 HB2 GLU 20 5.374 -10.718 -2.041 165 HB3 GLU 20 HB3 GLU 20 5.533 -9.076 -2.611 166 HG2 GLU 20 HG2 GLU 20 7.109 -9.713 -4.338 167 HG3 GLU 20 HG3 GLU 20 7.130 -11.388 -3.749 168 H VAL 21 HN VAL 21 7.802 -7.379 -2.238 169 HA VAL 21 HA VAL 21 10.236 -7.930 -3.686 170 HB VAL 21 HB VAL 21 8.877 -5.410 -2.654 171 HG11 VAL 21 HG11 VAL 21 10.353 -4.085 -4.076 172 HG12 VAL 21 HG12 VAL 21 11.237 -4.840 -2.759 173 HG13 VAL 21 HG13 VAL 21 11.358 -5.536 -4.388 174 HG21 VAL 21 HG21 VAL 21 7.779 -6.652 -4.539 175 HG22 VAL 21 HG22 VAL 21 8.307 -5.024 -4.962 176 HG23 VAL 21 HG23 VAL 21 9.257 -6.424 -5.492 177 H LEU 22 HN LEU 22 9.540 -7.386 -0.297 178 HA LEU 22 HA LEU 22 12.379 -7.017 0.462 179 HB2 LEU 22 HB2 LEU 22 9.672 -6.739 1.771 180 HB3 LEU 22 HB3 LEU 22 11.026 -7.166 2.796 181 HG LEU 22 HG LEU 22 12.261 -5.198 2.198 182 HD11 LEU 22 HD11 LEU 22 9.932 -4.363 0.439 183 HD12 LEU 22 HD12 LEU 22 11.548 -4.821 -0.130 184 HD13 LEU 22 HD13 LEU 22 11.347 -3.384 0.885 185 HD21 LEU 22 HD21 LEU 22 10.609 -5.051 4.033 186 HD22 LEU 22 HD22 LEU 22 9.360 -4.521 2.875 187 HD23 LEU 22 HD23 LEU 22 10.779 -3.509 3.203 188 H GLY 23 HN GLY 23 10.461 -9.649 -0.350 189 HA2 GLY 23 HA2 GLY 23 10.647 -11.902 0.041 190 HA3 GLY 23 HA1 GLY 23 12.234 -11.585 0.753 191 H LYS 24 HN LYS 24 9.404 -10.002 2.107 192 HA LYS 24 HA LYS 24 9.469 -11.583 4.621 193 HB2 LYS 24 HB2 LYS 24 7.577 -9.486 3.493 194 HB3 LYS 24 HB3 LYS 24 7.314 -10.288 5.033 195 HG2 LYS 24 HG2 LYS 24 9.271 -9.271 6.007 196 HG3 LYS 24 HG3 LYS 24 9.791 -8.616 4.447 197 HD2 LYS 24 HD2 LYS 24 7.861 -7.147 4.333 198 HD3 LYS 24 HD3 LYS 24 7.154 -7.856 5.790 199 HE2 LYS 24 HE2 LYS 24 9.938 -6.742 6.013 200 HE3 LYS 24 HE3 LYS 24 8.647 -5.559 5.781 201 HZ1 LYS 24 HZ1 LYS 24 8.385 -7.605 7.877 202 HZ2 LYS 24 HZ2 LYS 24 7.681 -6.138 7.809 203 HZ3 LYS 24 HZ3 LYS 24 9.261 -6.231 8.146 204 H SER 25 HN SER 25 7.529 -12.966 5.111 205 HA SER 25 HA SER 25 5.865 -13.682 2.777 206 HB2 SER 25 HB2 SER 25 7.157 -15.932 4.313 207 HB3 SER 25 HB3 SER 25 6.397 -15.934 2.730 208 HG SER 25 HG SER 25 8.441 -16.009 2.192 209 H GLY 26 HN GLY 26 4.087 -15.234 3.486 210 HA2 GLY 26 HA2 GLY 26 2.479 -15.947 4.934 211 HA3 GLY 26 HA1 GLY 26 3.815 -16.165 6.063 212 H ASP 27 HN ASP 27 3.145 -15.409 7.977 213 HA ASP 27 HA ASP 27 1.153 -13.377 8.174 214 HB2 ASP 27 HB2 ASP 27 1.959 -15.389 9.792 215 HB3 ASP 27 HB3 ASP 27 2.781 -14.050 10.586 216 H GLU 28 HN GLU 28 4.728 -13.274 8.369 217 HA GLU 28 HA GLU 28 5.186 -10.649 9.250 218 HB2 GLU 28 HB2 GLU 28 6.572 -12.864 8.024 219 HB3 GLU 28 HB3 GLU 28 6.946 -11.465 7.046 220 HG2 GLU 28 HG2 GLU 28 7.218 -11.509 10.058 221 HG3 GLU 28 HG3 GLU 28 8.437 -12.136 8.980 222 H ALA 29 HN ALA 29 4.654 -11.943 5.972 223 HA ALA 29 HA ALA 29 4.676 -9.401 4.660 224 HB1 ALA 29 HB1 ALA 29 3.439 -12.039 3.755 225 HB2 ALA 29 HB2 ALA 29 3.702 -10.625 2.725 226 HB3 ALA 29 HB3 ALA 29 5.093 -11.464 3.410 227 H ASN 30 HN ASN 30 2.340 -10.591 6.769 228 HA ASN 30 HA ASN 30 0.186 -8.891 5.553 229 HB2 ASN 30 HB2 ASN 30 0.047 -11.303 7.399 230 HB3 ASN 30 HB3 ASN 30 -1.259 -10.131 7.282 231 HD21 ASN 30 HD21 ASN 30 0.546 -12.612 5.378 232 HD22 ASN 30 HD22 ASN 30 -0.742 -12.744 4.204 233 H ALA 31 HN ALA 31 2.341 -9.374 8.303 234 HA ALA 31 HA ALA 31 1.118 -7.548 10.127 235 HB1 ALA 31 HB1 ALA 31 3.345 -7.610 11.217 236 HB2 ALA 31 HB2 ALA 31 2.740 -9.239 10.853 237 HB3 ALA 31 HB3 ALA 31 4.008 -8.500 9.847 238 H TYR 32 HN TYR 32 3.764 -7.246 7.735 239 HA TYR 32 HA TYR 32 4.493 -4.576 8.116 240 HB2 TYR 32 HB2 TYR 32 5.736 -6.169 6.746 241 HB3 TYR 32 HB3 TYR 32 4.428 -6.278 5.589 242 HD1 TYR 32 HD2 TYR 32 7.120 -4.028 6.924 243 HD2 TYR 32 HD1 TYR 32 4.176 -4.587 3.828 244 HE1 TYR 32 HE2 TYR 32 8.112 -2.182 5.676 245 HE2 TYR 32 HE1 TYR 32 5.153 -2.681 2.588 246 HH TYR 32 HH TYR 32 8.064 -1.341 3.015 247 H ALA 33 HN ALA 33 1.863 -5.851 6.043 248 HA ALA 33 HA ALA 33 1.138 -3.499 4.835 249 HB1 ALA 33 HB1 ALA 33 0.122 -5.637 4.217 250 HB2 ALA 33 HB2 ALA 33 -0.731 -5.718 5.782 251 HB3 ALA 33 HB3 ALA 33 -1.124 -4.456 4.598 252 H ALA 34 HN ALA 34 0.423 -4.452 8.212 253 HA ALA 34 HA ALA 34 -1.730 -2.532 8.542 254 HB1 ALA 34 HB1 ALA 34 0.071 -3.716 10.660 255 HB2 ALA 34 HB2 ALA 34 -1.511 -2.961 10.912 256 HB3 ALA 34 HB3 ALA 34 -1.397 -4.503 10.026 257 H GLU 35 HN GLU 35 1.826 -2.366 8.823 258 HA GLU 35 HA GLU 35 1.911 0.227 10.076 259 HB2 GLU 35 HB2 GLU 35 3.970 -1.205 8.327 260 HB3 GLU 35 HB3 GLU 35 4.240 0.272 9.254 261 HG2 GLU 35 HG2 GLU 35 3.700 -0.893 11.345 262 HG3 GLU 35 HG3 GLU 35 3.405 -2.399 10.457 263 H VAL 36 HN VAL 36 2.242 -0.871 6.657 264 HA VAL 36 HA VAL 36 2.495 1.671 5.512 265 HB VAL 36 HB VAL 36 1.522 -1.024 4.525 266 HG11 VAL 36 HG11 VAL 36 0.509 0.558 2.953 267 HG12 VAL 36 HG12 VAL 36 2.072 1.396 2.756 268 HG13 VAL 36 HG13 VAL 36 1.857 -0.275 2.182 269 HG21 VAL 36 HG21 VAL 36 3.690 -1.119 3.406 270 HG22 VAL 36 HG22 VAL 36 4.126 0.466 4.052 271 HG23 VAL 36 HG23 VAL 36 3.883 -0.921 5.149 272 H VAL 37 HN VAL 37 -0.445 -0.005 6.562 273 HA VAL 37 HA VAL 37 -2.344 1.573 5.078 274 HB VAL 37 HB VAL 37 -2.525 -0.242 7.501 275 HG11 VAL 37 HG11 VAL 37 -4.881 1.083 6.082 276 HG12 VAL 37 HG12 VAL 37 -5.009 -0.290 7.204 277 HG13 VAL 37 HG13 VAL 37 -4.439 1.279 7.781 278 HG21 VAL 37 HG21 VAL 37 -3.787 -0.607 4.795 279 HG22 VAL 37 HG22 VAL 37 -2.084 -0.979 5.057 280 HG23 VAL 37 HG23 VAL 37 -3.308 -1.837 6.008 281 H LYS 38 HN LYS 38 -0.578 2.103 7.980 282 HA LYS 38 HA LYS 38 -2.148 4.486 8.821 283 HB2 LYS 38 HB2 LYS 38 -1.545 3.324 10.732 284 HB3 LYS 38 HB3 LYS 38 -0.059 2.674 10.032 285 HG2 LYS 38 HG2 LYS 38 1.016 4.758 10.159 286 HG3 LYS 38 HG3 LYS 38 -0.417 5.602 10.796 287 HD2 LYS 38 HD2 LYS 38 -0.245 4.478 12.877 288 HD3 LYS 38 HD3 LYS 38 0.787 3.183 12.203 289 HE2 LYS 38 HE2 LYS 38 2.567 4.805 11.724 290 HE3 LYS 38 HE3 LYS 38 1.587 6.114 12.393 291 HZ1 LYS 38 HZ1 LYS 38 2.357 3.760 14.016 292 HZ2 LYS 38 HZ2 LYS 38 1.739 5.198 14.509 293 HZ3 LYS 38 HZ3 LYS 38 3.287 5.116 13.889 294 H ALA 39 HN ALA 39 -1.801 5.965 7.177 295 HA ALA 39 HA ALA 39 0.446 7.523 7.433 296 HB1 ALA 39 HB1 ALA 39 1.427 7.284 5.056 297 HB2 ALA 39 HB2 ALA 39 1.950 6.139 6.273 298 HB3 ALA 39 HB3 ALA 39 0.707 5.640 5.099 299 H ASP 40 HN ASP 40 -2.122 6.367 5.346 300 HA ASP 40 HA ASP 40 -2.526 8.527 3.594 301 HB2 ASP 40 HB2 ASP 40 -4.772 7.525 3.322 302 HB3 ASP 40 HB3 ASP 40 -3.440 6.390 3.175 303 H PHE 41 HN PHE 41 -3.193 8.217 6.949 304 HA PHE 41 HA PHE 41 -4.649 10.810 6.972 305 HB2 PHE 41 HB2 PHE 41 -5.663 9.925 9.079 306 HB3 PHE 41 HB3 PHE 41 -6.155 9.179 7.572 307 HD1 PHE 41 HD1 PHE 41 -3.054 8.485 9.607 308 HD2 PHE 41 HD2 PHE 41 -6.816 7.004 8.148 309 HE1 PHE 41 HE1 PHE 41 -2.534 6.303 10.562 310 HE2 PHE 41 HE2 PHE 41 -6.345 4.803 9.207 311 HZ PHE 41 HZ PHE 41 -4.216 4.443 10.443 312 H GLU 42 HN GLU 42 -1.586 9.944 7.378 313 HA GLU 42 HA GLU 42 -1.193 11.002 10.108 314 HB2 GLU 42 HB2 GLU 42 0.748 9.871 8.062 315 HB3 GLU 42 HB3 GLU 42 1.228 10.505 9.637 316 HG2 GLU 42 HG2 GLU 42 -0.737 8.202 9.227 317 HG3 GLU 42 HG3 GLU 42 0.983 8.008 9.585 318 H GLU 43 HN GLU 43 0.235 11.844 6.780 319 HA GLU 43 HA GLU 43 -0.090 14.678 7.363 320 HB2 GLU 43 HB2 GLU 43 2.081 14.016 8.325 321 HB3 GLU 43 HB3 GLU 43 2.475 13.079 6.878 322 HG2 GLU 43 HG2 GLU 43 2.384 15.176 5.556 323 HG3 GLU 43 HG3 GLU 43 2.192 16.086 7.066 324 H ALA 44 HN ALA 44 -0.458 15.732 5.469 325 HA ALA 44 HA ALA 44 -0.688 16.318 3.355 326 HB1 ALA 44 HB1 ALA 44 1.774 14.579 3.055 327 HB2 ALA 44 HB2 ALA 44 1.262 15.812 1.891 328 HB3 ALA 44 HB3 ALA 44 1.726 16.285 3.531 329 H GLY 45 HN GLY 45 -0.402 15.400 0.870 330 HA2 GLY 45 HA2 GLY 45 -2.656 13.514 0.554 331 HA3 GLY 45 HA1 GLY 45 -1.909 14.527 -0.690 332 H HIS 46 HN HIS 46 -1.812 11.516 0.978 333 HA HIS 46 HA HIS 46 -0.436 9.742 1.103 334 HB2 HIS 46 HB2 HIS 46 -0.664 10.136 -1.887 335 HB3 HIS 46 HB3 HIS 46 -0.275 8.621 -1.074 336 HD1 HIS 46 HD1 HIS 46 -2.821 9.371 1.205 337 HD2 HIS 46 HD2 HIS 46 -2.769 8.970 -2.964 338 HE1 HIS 46 HE1 HIS 46 -5.136 8.558 0.553 339 H GLU 47 HN GLU 47 1.236 12.308 1.066 340 HA GLU 47 HA GLU 47 3.622 11.607 -0.395 341 HB2 GLU 47 HB2 GLU 47 2.827 13.943 0.307 342 HB3 GLU 47 HB3 GLU 47 3.403 13.556 1.919 343 HG2 GLU 47 HG2 GLU 47 5.096 14.808 0.741 344 HG3 GLU 47 HG3 GLU 47 5.678 13.177 1.074 345 H ASP 48 HN ASP 48 2.734 11.613 3.088 346 HA ASP 48 HA ASP 48 5.061 10.435 4.120 347 HB2 ASP 48 HB2 ASP 48 3.330 11.483 5.492 348 HB3 ASP 48 HB3 ASP 48 2.192 10.191 5.092 349 H VAL 49 HN VAL 49 2.161 8.942 2.740 350 HA VAL 49 HA VAL 49 2.825 6.232 3.244 351 HB VAL 49 HB VAL 49 1.385 7.503 0.825 352 HG11 VAL 49 HG11 VAL 49 1.400 4.622 1.745 353 HG12 VAL 49 HG12 VAL 49 0.255 5.284 0.554 354 HG13 VAL 49 HG13 VAL 49 1.977 5.257 0.194 355 HG21 VAL 49 HG21 VAL 49 -0.740 7.113 1.806 356 HG22 VAL 49 HG22 VAL 49 -0.057 6.201 3.144 357 HG23 VAL 49 HG23 VAL 49 0.216 7.960 3.025 358 H MET 50 HN MET 50 3.728 8.339 0.459 359 HA MET 50 HA MET 50 5.097 6.176 -0.886 360 HB2 MET 50 HB2 MET 50 5.400 9.174 -1.244 361 HB3 MET 50 HB3 MET 50 6.104 7.916 -2.269 362 HG2 MET 50 HG2 MET 50 3.115 8.188 -1.939 363 HG3 MET 50 HG3 MET 50 4.066 9.111 -3.094 364 HE1 MET 50 HE1 MET 50 2.227 5.884 -2.317 365 HE2 MET 50 HE2 MET 50 2.852 4.703 -3.494 366 HE3 MET 50 HE3 MET 50 3.842 5.167 -2.093 367 H ARG 51 HN ARG 51 6.258 8.903 1.295 368 HA ARG 51 HA ARG 51 8.980 8.198 1.074 369 HB2 ARG 51 HB2 ARG 51 8.466 10.325 1.899 370 HB3 ARG 51 HB3 ARG 51 7.243 9.733 3.044 371 HG2 ARG 51 HG2 ARG 51 8.773 8.936 4.545 372 HG3 ARG 51 HG3 ARG 51 10.061 8.782 3.358 373 HD2 ARG 51 HD2 ARG 51 10.227 11.268 3.220 374 HD3 ARG 51 HD3 ARG 51 9.095 11.397 4.570 375 HE ARG 51 HE ARG 51 11.889 10.748 4.604 376 HH11 ARG 51 HH11 ARG 51 8.850 10.210 6.392 377 HH12 ARG 51 HH12 ARG 51 9.621 9.595 7.822 378 HH21 ARG 51 HH21 ARG 51 12.937 10.122 6.624 379 HH22 ARG 51 HH22 ARG 51 12.003 9.646 7.978 380 H LYS 52 HN LYS 52 6.425 7.055 3.395 381 HA LYS 52 HA LYS 52 8.084 5.529 4.993 382 HB2 LYS 52 HB2 LYS 52 5.759 5.918 5.513 383 HB3 LYS 52 HB3 LYS 52 5.234 4.854 4.211 384 HG2 LYS 52 HG2 LYS 52 7.172 3.697 6.216 385 HG3 LYS 52 HG3 LYS 52 5.603 4.102 6.816 386 HD2 LYS 52 HD2 LYS 52 4.625 2.643 4.983 387 HD3 LYS 52 HD3 LYS 52 6.261 2.138 4.558 388 HE2 LYS 52 HE2 LYS 52 5.238 1.975 7.415 389 HE3 LYS 52 HE3 LYS 52 4.857 0.695 6.268 390 HZ1 LYS 52 HZ1 LYS 52 7.100 0.120 6.086 391 HZ2 LYS 52 HZ2 LYS 52 6.906 0.396 7.671 392 HZ3 LYS 52 HZ3 LYS 52 7.666 1.506 6.740 393 H VAL 53 HN VAL 53 6.342 4.385 2.070 394 HA VAL 53 HA VAL 53 7.474 1.749 2.350 395 HB VAL 53 HB VAL 53 5.181 2.431 1.461 396 HG11 VAL 53 HG11 VAL 53 5.886 4.253 -0.044 397 HG12 VAL 53 HG12 VAL 53 6.678 3.117 -1.107 398 HG13 VAL 53 HG13 VAL 53 4.912 3.053 -0.872 399 HG21 VAL 53 HG21 VAL 53 5.809 0.213 1.301 400 HG22 VAL 53 HG22 VAL 53 5.036 0.717 -0.219 401 HG23 VAL 53 HG23 VAL 53 6.798 0.495 -0.135 402 H LEU 54 HN LEU 54 8.431 4.655 0.600 403 HA LEU 54 HA LEU 54 10.270 3.290 -1.149 404 HB2 LEU 54 HB2 LEU 54 9.824 6.185 -0.350 405 HB3 LEU 54 HB3 LEU 54 11.179 5.725 -1.327 406 HG LEU 54 HG LEU 54 8.331 5.088 -2.170 407 HD11 LEU 54 HD11 LEU 54 8.719 7.053 -3.751 408 HD12 LEU 54 HD12 LEU 54 10.139 7.447 -2.795 409 HD13 LEU 54 HD13 LEU 54 8.541 7.504 -2.047 410 HD21 LEU 54 HD21 LEU 54 10.960 5.132 -3.722 411 HD22 LEU 54 HD22 LEU 54 9.354 4.840 -4.410 412 HD23 LEU 54 HD23 LEU 54 10.044 3.679 -3.272 413 H GLY 55 HN GLY 55 10.599 5.155 1.932 414 HA2 GLY 55 HA2 GLY 55 13.401 4.847 2.207 415 HA3 GLY 55 HA1 GLY 55 12.230 5.119 3.516 416 H ASP 56 HN ASP 56 10.636 2.816 3.404 417 HA ASP 56 HA ASP 56 12.323 0.787 4.572 418 HB2 ASP 56 HB2 ASP 56 9.400 0.966 3.800 419 HB3 ASP 56 HB3 ASP 56 10.097 -0.588 4.209 420 H LEU 57 HN LEU 57 11.871 1.509 1.192 421 HA LEU 57 HA LEU 57 12.454 -1.295 0.385 422 HB2 LEU 57 HB2 LEU 57 12.017 1.271 -1.153 423 HB3 LEU 57 HB3 LEU 57 12.968 0.009 -1.878 424 HG LEU 57 HG LEU 57 10.091 -0.327 -1.002 425 HD11 LEU 57 HD11 LEU 57 9.716 -0.287 -3.500 426 HD12 LEU 57 HD12 LEU 57 11.442 -0.026 -3.747 427 HD13 LEU 57 HD13 LEU 57 10.515 1.231 -2.968 428 HD21 LEU 57 HD21 LEU 57 11.495 -2.488 -1.114 429 HD22 LEU 57 HD22 LEU 57 11.614 -2.194 -2.846 430 HD23 LEU 57 HD23 LEU 57 10.027 -2.415 -2.083 431 H ASP 58 HN ASP 58 14.218 1.639 1.246 432 HA ASP 58 HA ASP 58 16.457 2.121 1.247 433 HB2 ASP 58 HB2 ASP 58 16.346 0.122 2.710 434 HB3 ASP 58 HB3 ASP 58 16.702 -0.896 1.331 435 H GLY 59 HN GLY 59 15.138 1.755 -1.392 436 HA2 GLY 59 HA2 GLY 59 15.838 2.069 -3.594 437 HA3 GLY 59 HA1 GLY 59 17.504 1.750 -3.122 438 H LYS 60 HN LYS 60 14.888 -0.567 -2.323 439 HA LYS 60 HA LYS 60 16.115 -2.624 -3.822 440 HB2 LYS 60 HB2 LYS 60 13.805 -2.314 -2.076 441 HB3 LYS 60 HB3 LYS 60 13.703 -3.634 -3.199 442 HG2 LYS 60 HG2 LYS 60 15.960 -4.396 -2.421 443 HG3 LYS 60 HG3 LYS 60 15.929 -3.178 -1.163 444 HD2 LYS 60 HD2 LYS 60 14.479 -4.371 0.130 445 HD3 LYS 60 HD3 LYS 60 13.504 -4.918 -1.242 446 HE2 LYS 60 HE2 LYS 60 16.285 -6.027 -0.709 447 HE3 LYS 60 HE3 LYS 60 14.842 -6.718 0.050 448 HZ1 LYS 60 HZ1 LYS 60 15.513 -7.803 -2.032 449 HZ2 LYS 60 HZ2 LYS 60 15.106 -6.457 -2.886 450 HZ3 LYS 60 HZ3 LYS 60 13.971 -7.314 -2.017 451 H ARG 61 HN ARG 61 13.660 -0.313 -4.907 452 HA ARG 61 HA ARG 61 13.442 -1.571 -7.459 453 HB2 ARG 61 HB2 ARG 61 10.990 -1.506 -5.631 454 HB3 ARG 61 HB3 ARG 61 10.837 -1.528 -7.371 455 HG2 ARG 61 HG2 ARG 61 12.101 -3.732 -5.713 456 HG3 ARG 61 HG3 ARG 61 10.471 -3.715 -6.386 457 HD2 ARG 61 HD2 ARG 61 11.453 -3.563 -8.675 458 HD3 ARG 61 HD3 ARG 61 13.066 -3.803 -7.967 459 HE ARG 61 HE ARG 61 11.811 -5.920 -6.941 460 HH11 ARG 61 HH11 ARG 61 12.105 -4.820 -10.293 461 HH12 ARG 61 HH12 ARG 61 11.688 -6.373 -10.969 462 HH21 ARG 61 HH21 ARG 61 10.983 -7.878 -7.838 463 HH22 ARG 61 HH22 ARG 61 11.182 -8.190 -9.522 464 HA PRO 62 HA PRO 62 13.307 2.672 -8.353 465 HB2 PRO 62 HB2 PRO 62 11.848 2.788 -10.742 466 HB3 PRO 62 HB3 PRO 62 13.546 2.292 -10.614 467 HG2 PRO 62 HG2 PRO 62 11.103 0.583 -10.831 468 HG3 PRO 62 HG3 PRO 62 12.725 0.315 -11.543 469 HD2 PRO 62 HD2 PRO 62 11.844 -0.998 -9.320 470 HD3 PRO 62 HD3 PRO 62 13.557 -0.568 -9.570 471 H GLU 63 HN GLU 63 12.134 4.568 -8.148 472 HA GLU 63 HA GLU 63 9.697 4.542 -6.783 473 HB2 GLU 63 HB2 GLU 63 11.168 6.491 -6.763 474 HB3 GLU 63 HB3 GLU 63 10.889 6.761 -8.494 475 HG2 GLU 63 HG2 GLU 63 8.489 7.142 -8.076 476 HG3 GLU 63 HG3 GLU 63 8.687 6.726 -6.375 477 H ALA 64 HN ALA 64 10.249 4.874 -10.361 478 HA ALA 64 HA ALA 64 7.556 5.461 -10.926 479 HB1 ALA 64 HB1 ALA 64 9.555 3.908 -12.655 480 HB2 ALA 64 HB2 ALA 64 8.026 4.598 -13.235 481 HB3 ALA 64 HB3 ALA 64 9.301 5.670 -12.649 482 H GLU 65 HN GLU 65 9.060 2.169 -10.465 483 HA GLU 65 HA GLU 65 6.737 0.749 -11.308 484 HB2 GLU 65 HB2 GLU 65 9.006 -0.170 -11.226 485 HB3 GLU 65 HB3 GLU 65 9.038 -0.035 -9.455 486 HG2 GLU 65 HG2 GLU 65 7.316 -1.696 -9.223 487 HG3 GLU 65 HG3 GLU 65 6.891 -1.550 -10.927 488 H VAL 66 HN VAL 66 7.864 2.087 -8.214 489 HA VAL 66 HA VAL 66 5.882 0.938 -6.504 490 HB VAL 66 HB VAL 66 7.548 3.475 -6.181 491 HG11 VAL 66 HG11 VAL 66 6.269 1.775 -4.026 492 HG12 VAL 66 HG12 VAL 66 7.211 3.245 -3.795 493 HG13 VAL 66 HG13 VAL 66 5.620 3.338 -4.576 494 HG21 VAL 66 HG21 VAL 66 8.140 0.749 -4.981 495 HG22 VAL 66 HG22 VAL 66 8.884 1.285 -6.482 496 HG23 VAL 66 HG23 VAL 66 9.171 2.189 -5.003 497 H ARG 67 HN ARG 67 6.072 4.219 -8.091 498 HA ARG 67 HA ARG 67 3.531 5.027 -7.060 499 HB2 ARG 67 HB2 ARG 67 4.156 6.151 -9.747 500 HB3 ARG 67 HB3 ARG 67 3.606 6.920 -8.279 501 HG2 ARG 67 HG2 ARG 67 6.205 6.423 -7.585 502 HG3 ARG 67 HG3 ARG 67 6.342 6.443 -9.321 503 HD2 ARG 67 HD2 ARG 67 6.773 8.641 -8.884 504 HD3 ARG 67 HD3 ARG 67 5.046 8.704 -9.229 505 HE ARG 67 HE ARG 67 5.979 8.493 -6.418 506 HH11 ARG 67 HH11 ARG 67 4.918 10.799 -8.890 507 HH12 ARG 67 HH12 ARG 67 4.300 11.950 -7.748 508 HH21 ARG 67 HH21 ARG 67 5.599 10.098 -5.009 509 HH22 ARG 67 HH22 ARG 67 4.761 11.576 -5.440 510 H ALA 68 HN ALA 68 4.436 3.414 -10.122 511 HA ALA 68 HA ALA 68 1.885 3.384 -11.351 512 HB1 ALA 68 HB1 ALA 68 4.106 1.292 -11.525 513 HB2 ALA 68 HB2 ALA 68 2.693 1.388 -12.593 514 HB3 ALA 68 HB3 ALA 68 3.875 2.699 -12.586 515 H LYS 69 HN LYS 69 3.326 0.782 -9.164 516 HA LYS 69 HA LYS 69 1.202 -0.829 -8.862 517 HB2 LYS 69 HB2 LYS 69 3.715 -0.387 -7.696 518 HB3 LYS 69 HB3 LYS 69 2.686 0.056 -6.380 519 HG2 LYS 69 HG2 LYS 69 3.276 -2.227 -6.181 520 HG3 LYS 69 HG3 LYS 69 1.559 -2.178 -6.563 521 HD2 LYS 69 HD2 LYS 69 2.793 -3.900 -7.724 522 HD3 LYS 69 HD3 LYS 69 1.963 -2.891 -8.834 523 HE2 LYS 69 HE2 LYS 69 4.931 -2.508 -8.214 524 HE3 LYS 69 HE3 LYS 69 4.372 -3.822 -9.245 525 HZ1 LYS 69 HZ1 LYS 69 4.365 -0.975 -9.827 526 HZ2 LYS 69 HZ2 LYS 69 3.161 -1.919 -10.496 527 HZ3 LYS 69 HZ3 LYS 69 4.720 -2.262 -10.786 528 H TYR 70 HN TYR 70 1.804 2.091 -6.888 529 HA TYR 70 HA TYR 70 -0.461 1.665 -5.259 530 HB2 TYR 70 HB2 TYR 70 1.635 2.871 -4.682 531 HB3 TYR 70 HB3 TYR 70 1.176 4.186 -5.751 532 HD1 TYR 70 HD1 TYR 70 -0.126 2.193 -2.784 533 HD2 TYR 70 HD2 TYR 70 -0.002 6.023 -4.843 534 HE1 TYR 70 HE1 TYR 70 -1.322 3.251 -0.931 535 HE2 TYR 70 HE2 TYR 70 -1.207 7.059 -2.968 536 HH TYR 70 HH TYR 70 -2.242 5.235 -0.057 537 H GLU 71 HN GLU 71 0.070 3.983 -7.934 538 HA GLU 71 HA GLU 71 -2.467 5.261 -7.871 539 HB2 GLU 71 HB2 GLU 71 -0.478 4.745 -10.110 540 HB3 GLU 71 HB3 GLU 71 -1.888 5.788 -10.287 541 HG2 GLU 71 HG2 GLU 71 0.195 6.280 -8.114 542 HG3 GLU 71 HG3 GLU 71 0.389 6.876 -9.755 543 H GLY 72 HN GLY 72 -1.271 2.410 -9.791 544 HA2 GLY 72 HA2 GLY 72 -3.708 1.987 -11.201 545 HA3 GLY 72 HA1 GLY 72 -2.398 0.825 -10.957 546 H LEU 73 HN LEU 73 -2.805 1.260 -7.901 547 HA LEU 73 HA LEU 73 -4.466 -1.045 -7.645 548 HB2 LEU 73 HB2 LEU 73 -2.443 0.185 -6.103 549 HB3 LEU 73 HB3 LEU 73 -3.847 0.379 -5.126 550 HG LEU 73 HG LEU 73 -4.268 -2.052 -5.118 551 HD11 LEU 73 HD11 LEU 73 -1.785 -2.182 -6.909 552 HD12 LEU 73 HD12 LEU 73 -3.410 -2.757 -7.321 553 HD13 LEU 73 HD13 LEU 73 -2.491 -3.586 -6.074 554 HD21 LEU 73 HD21 LEU 73 -2.027 -2.638 -3.972 555 HD22 LEU 73 HD22 LEU 73 -2.820 -1.139 -3.402 556 HD23 LEU 73 HD23 LEU 73 -1.458 -1.074 -4.507 557 H MET 74 HN MET 74 -5.498 2.246 -7.732 558 HA MET 74 HA MET 74 -7.363 2.095 -5.572 559 HB2 MET 74 HB2 MET 74 -6.675 4.186 -6.662 560 HB3 MET 74 HB3 MET 74 -7.580 3.756 -8.117 561 HG2 MET 74 HG2 MET 74 -9.648 4.023 -7.078 562 HG3 MET 74 HG3 MET 74 -9.015 3.725 -5.460 563 HE1 MET 74 HE1 MET 74 -6.845 5.461 -4.688 564 HE2 MET 74 HE2 MET 74 -7.551 7.031 -4.254 565 HE3 MET 74 HE3 MET 74 -8.355 5.526 -3.756 566 H ALA 75 HN ALA 75 -7.692 1.201 -9.026 567 HA ALA 75 HA ALA 75 -10.463 0.368 -8.682 568 HB1 ALA 75 HB1 ALA 75 -10.311 -0.400 -10.966 569 HB2 ALA 75 HB2 ALA 75 -9.542 1.183 -10.847 570 HB3 ALA 75 HB3 ALA 75 -8.535 -0.284 -10.950 571 H VAL 76 HN VAL 76 -7.376 -1.172 -8.095 572 HA VAL 76 HA VAL 76 -8.388 -3.925 -8.213 573 HB VAL 76 HB VAL 76 -5.864 -2.821 -6.893 574 HG11 VAL 76 HG11 VAL 76 -5.080 -5.159 -6.993 575 HG12 VAL 76 HG12 VAL 76 -6.527 -5.000 -5.992 576 HG13 VAL 76 HG13 VAL 76 -6.666 -5.660 -7.626 577 HG21 VAL 76 HG21 VAL 76 -6.303 -4.130 -9.613 578 HG22 VAL 76 HG22 VAL 76 -5.821 -2.437 -9.345 579 HG23 VAL 76 HG23 VAL 76 -4.722 -3.763 -8.920 580 H ALA 77 HN ALA 77 -7.494 -1.551 -5.691 581 HA ALA 77 HA ALA 77 -8.043 -2.917 -3.403 582 HB1 ALA 77 HB1 ALA 77 -7.026 -0.683 -3.534 583 HB2 ALA 77 HB2 ALA 77 -8.579 0.034 -3.994 584 HB3 ALA 77 HB3 ALA 77 -8.395 -0.690 -2.391 585 H LYS 78 HN LYS 78 -10.341 -0.880 -5.241 586 HA LYS 78 HA LYS 78 -12.591 -1.469 -3.605 587 HB2 LYS 78 HB2 LYS 78 -12.348 -0.619 -6.531 588 HB3 LYS 78 HB3 LYS 78 -13.884 -0.757 -5.676 589 HG2 LYS 78 HG2 LYS 78 -13.032 0.867 -3.937 590 HG3 LYS 78 HG3 LYS 78 -11.552 1.054 -4.885 591 HD2 LYS 78 HD2 LYS 78 -12.933 2.897 -5.476 592 HD3 LYS 78 HD3 LYS 78 -13.008 1.769 -6.841 593 HE2 LYS 78 HE2 LYS 78 -15.145 0.817 -5.707 594 HE3 LYS 78 HE3 LYS 78 -15.047 2.198 -4.612 595 HZ1 LYS 78 HZ1 LYS 78 -15.156 3.618 -6.600 596 HZ2 LYS 78 HZ2 LYS 78 -16.509 2.682 -6.436 597 HZ3 LYS 78 HZ3 LYS 78 -15.332 2.290 -7.544 598 H ALA 79 HN ALA 79 -11.473 -3.225 -6.563 599 HA ALA 79 HA ALA 79 -13.741 -5.002 -6.608 600 HB1 ALA 79 HB1 ALA 79 -10.886 -5.456 -7.601 601 HB2 ALA 79 HB2 ALA 79 -12.301 -6.442 -7.999 602 HB3 ALA 79 HB3 ALA 79 -12.215 -4.779 -8.563 603 H GLN 80 HN GLN 80 -10.496 -5.186 -5.046 604 HA GLN 80 HA GLN 80 -10.941 -7.813 -4.003 605 HB2 GLN 80 HB2 GLN 80 -8.961 -5.651 -3.205 606 HB3 GLN 80 HB3 GLN 80 -9.033 -7.269 -2.503 607 HG2 GLN 80 HG2 GLN 80 -8.917 -8.112 -5.001 608 HG3 GLN 80 HG3 GLN 80 -8.344 -6.500 -5.348 609 HE21 GLN 80 HE21 GLN 80 -6.225 -7.273 -5.999 610 HE22 GLN 80 HE22 GLN 80 -5.087 -7.799 -4.792 611 H LEU 81 HN LEU 81 -11.675 -4.578 -2.666 612 HA LEU 81 HA LEU 81 -12.320 -5.521 -0.018 613 HB2 LEU 81 HB2 LEU 81 -12.375 -3.436 0.533 614 HB3 LEU 81 HB3 LEU 81 -11.711 -3.122 -1.024 615 HG LEU 81 HG LEU 81 -14.175 -2.834 -1.805 616 HD11 LEU 81 HD11 LEU 81 -15.295 -3.683 0.237 617 HD12 LEU 81 HD12 LEU 81 -15.637 -1.960 0.068 618 HD13 LEU 81 HD13 LEU 81 -14.414 -2.550 1.232 619 HD21 LEU 81 HD21 LEU 81 -12.795 -0.944 0.126 620 HD22 LEU 81 HD22 LEU 81 -14.050 -0.452 -1.043 621 HD23 LEU 81 HD23 LEU 81 -12.471 -1.035 -1.596 622 H MET 82 HN MET 82 -14.230 -4.915 -2.940 623 HA MET 82 HA MET 82 -16.797 -5.475 -1.796 624 HB2 MET 82 HB2 MET 82 -15.769 -5.993 -4.617 625 HB3 MET 82 HB3 MET 82 -17.466 -5.993 -4.146 626 HG2 MET 82 HG2 MET 82 -15.964 -3.499 -3.508 627 HG3 MET 82 HG3 MET 82 -16.093 -3.893 -5.214 628 HE1 MET 82 HE1 MET 82 -17.858 -2.546 -2.041 629 HE2 MET 82 HE2 MET 82 -19.584 -2.709 -2.444 630 HE3 MET 82 HE3 MET 82 -18.611 -4.157 -2.117 631 H ASP 83 HN ASP 83 -14.317 -7.573 -3.330 632 HA ASP 83 HA ASP 83 -15.871 -9.954 -2.863 633 HB2 ASP 83 HB2 ASP 83 -14.414 -9.461 -4.845 634 HB3 ASP 83 HB3 ASP 83 -13.007 -9.649 -3.794 635 H GLU 84 HN GLU 84 -13.829 -8.172 -0.802 636 HA GLU 84 HA GLU 84 -13.388 -10.472 1.033 637 HB2 GLU 84 HB2 GLU 84 -12.479 -7.568 1.005 638 HB3 GLU 84 HB3 GLU 84 -12.363 -8.563 2.439 639 HG2 GLU 84 HG2 GLU 84 -11.204 -10.156 0.418 640 HG3 GLU 84 HG3 GLU 84 -10.616 -8.518 0.132 641 H LEU 85 HN LEU 85 -16.013 -8.753 0.267 642 HA LEU 85 HA LEU 85 -17.038 -8.754 3.071 643 HB2 LEU 85 HB2 LEU 85 -17.807 -7.172 0.607 644 HB3 LEU 85 HB3 LEU 85 -19.003 -7.477 1.860 645 HG LEU 85 HG LEU 85 -16.308 -6.235 2.514 646 HD11 LEU 85 HD11 LEU 85 -18.868 -4.759 1.756 647 HD12 LEU 85 HD12 LEU 85 -17.395 -4.856 0.777 648 HD13 LEU 85 HD13 LEU 85 -17.341 -4.026 2.336 649 HD21 LEU 85 HD21 LEU 85 -19.033 -6.030 3.881 650 HD22 LEU 85 HD22 LEU 85 -17.489 -5.392 4.480 651 HD23 LEU 85 HD23 LEU 85 -17.761 -7.145 4.369 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -18.980 9.726 -0.761 2 HA2 GLY 1 HA2 GLY 1 -19.557 7.337 -0.841 3 HA3 GLY 1 HA1 GLY 1 -18.986 7.929 -2.397 4 H MET 2 HN MET 2 -18.452 5.596 0.048 5 HA MET 2 HA MET 2 -17.129 3.805 0.212 6 HB2 MET 2 HB2 MET 2 -16.668 4.416 -2.723 7 HB3 MET 2 HB3 MET 2 -16.059 2.974 -1.934 8 HG2 MET 2 HG2 MET 2 -18.291 2.254 -1.334 9 HG3 MET 2 HG3 MET 2 -18.996 3.740 -1.986 10 HE1 MET 2 HE1 MET 2 -19.702 0.574 -2.649 11 HE2 MET 2 HE2 MET 2 -20.676 1.961 -3.172 12 HE3 MET 2 HE3 MET 2 -20.138 0.755 -4.359 13 H GLN 3 HN GLN 3 -15.484 6.706 -0.402 14 HA GLN 3 HA GLN 3 -12.883 5.999 -0.788 15 HB2 GLN 3 HB2 GLN 3 -14.288 8.277 -0.777 16 HB3 GLN 3 HB3 GLN 3 -13.565 8.464 0.825 17 HG2 GLN 3 HG2 GLN 3 -11.307 8.323 -0.213 18 HG3 GLN 3 HG3 GLN 3 -12.031 8.000 -1.791 19 HE21 GLN 3 HE21 GLN 3 -12.650 9.857 -3.075 20 HE22 GLN 3 HE22 GLN 3 -12.546 11.481 -2.413 21 H PHE 4 HN PHE 4 -14.218 4.778 1.791 22 HA PHE 4 HA PHE 4 -12.047 5.218 3.781 23 HB2 PHE 4 HB2 PHE 4 -14.907 5.334 3.993 24 HB3 PHE 4 HB3 PHE 4 -14.288 4.075 5.073 25 HD1 PHE 4 HD1 PHE 4 -13.306 7.536 3.978 26 HD2 PHE 4 HD2 PHE 4 -13.878 4.836 7.264 27 HE1 PHE 4 HE1 PHE 4 -12.515 9.290 5.504 28 HE2 PHE 4 HE2 PHE 4 -13.112 6.617 8.844 29 HZ PHE 4 HZ PHE 4 -12.397 8.829 7.981 30 H LYS 5 HN LYS 5 -14.589 2.880 2.793 31 HA LYS 5 HA LYS 5 -13.343 0.515 3.587 32 HB2 LYS 5 HB2 LYS 5 -15.159 1.178 1.272 33 HB3 LYS 5 HB3 LYS 5 -14.535 -0.456 1.484 34 HG2 LYS 5 HG2 LYS 5 -15.976 1.013 3.735 35 HG3 LYS 5 HG3 LYS 5 -16.771 0.053 2.505 36 HD2 LYS 5 HD2 LYS 5 -16.568 -1.631 3.936 37 HD3 LYS 5 HD3 LYS 5 -14.942 -1.786 3.279 38 HE2 LYS 5 HE2 LYS 5 -14.162 -0.261 5.214 39 HE3 LYS 5 HE3 LYS 5 -15.809 -0.352 5.823 40 HZ1 LYS 5 HZ1 LYS 5 -14.784 -2.097 6.918 41 HZ2 LYS 5 HZ2 LYS 5 -13.846 -2.542 5.662 42 HZ3 LYS 5 HZ3 LYS 5 -15.456 -2.876 5.649 43 H ALA 6 HN ALA 6 -13.009 2.267 0.511 44 HA ALA 6 HA ALA 6 -11.008 0.630 -0.677 45 HB1 ALA 6 HB1 ALA 6 -10.781 2.474 -2.254 46 HB2 ALA 6 HB2 ALA 6 -12.504 2.222 -1.887 47 HB3 ALA 6 HB3 ALA 6 -11.625 3.578 -1.147 48 H GLU 7 HN GLU 7 -10.724 3.136 1.820 49 HA GLU 7 HA GLU 7 -8.227 4.202 0.972 50 HB2 GLU 7 HB2 GLU 7 -8.643 5.704 2.704 51 HB3 GLU 7 HB3 GLU 7 -10.238 4.959 2.699 52 HG2 GLU 7 HG2 GLU 7 -9.375 3.412 4.562 53 HG3 GLU 7 HG3 GLU 7 -8.045 4.545 4.712 54 H ALA 8 HN ALA 8 -9.068 1.987 3.587 55 HA ALA 8 HA ALA 8 -6.275 1.579 4.236 56 HB1 ALA 8 HB1 ALA 8 -8.704 0.062 5.284 57 HB2 ALA 8 HB2 ALA 8 -7.093 0.205 6.032 58 HB3 ALA 8 HB3 ALA 8 -8.127 1.626 5.916 59 H ARG 9 HN ARG 9 -8.661 -0.116 2.295 60 HA ARG 9 HA ARG 9 -7.157 -2.552 2.038 61 HB2 ARG 9 HB2 ARG 9 -9.699 -1.671 1.255 62 HB3 ARG 9 HB3 ARG 9 -8.869 -1.856 -0.285 63 HG2 ARG 9 HG2 ARG 9 -9.075 -3.962 1.898 64 HG3 ARG 9 HG3 ARG 9 -10.081 -3.867 0.466 65 HD2 ARG 9 HD2 ARG 9 -8.107 -4.208 -0.978 66 HD3 ARG 9 HD3 ARG 9 -7.116 -4.413 0.489 67 HE ARG 9 HE ARG 9 -9.565 -6.067 -0.007 68 HH11 ARG 9 HH11 ARG 9 -6.083 -6.084 0.721 69 HH12 ARG 9 HH12 ARG 9 -6.136 -7.691 1.363 70 HH21 ARG 9 HH21 ARG 9 -9.592 -8.102 0.595 71 HH22 ARG 9 HH22 ARG 9 -8.141 -9.019 0.855 72 H ARG 10 HN ARG 10 -7.262 0.537 0.168 73 HA ARG 10 HA ARG 10 -5.396 -0.209 -1.865 74 HB2 ARG 10 HB2 ARG 10 -6.848 1.808 -1.932 75 HB3 ARG 10 HB3 ARG 10 -5.991 2.518 -0.585 76 HG2 ARG 10 HG2 ARG 10 -3.982 1.881 -2.543 77 HG3 ARG 10 HG3 ARG 10 -5.362 2.444 -3.463 78 HD2 ARG 10 HD2 ARG 10 -3.912 3.920 -1.253 79 HD3 ARG 10 HD3 ARG 10 -3.882 4.302 -2.977 80 HE ARG 10 HE ARG 10 -6.438 4.385 -1.466 81 HH11 ARG 10 HH11 ARG 10 -3.902 6.337 -3.141 82 HH12 ARG 10 HH12 ARG 10 -4.503 7.798 -2.489 83 HH21 ARG 10 HH21 ARG 10 -7.460 6.466 -1.052 84 HH22 ARG 10 HH22 ARG 10 -6.708 7.869 -1.698 85 H ASN 11 HN ASN 11 -4.835 1.609 1.209 86 HA ASN 11 HA ASN 11 -2.060 1.562 0.970 87 HB2 ASN 11 HB2 ASN 11 -3.754 1.735 3.489 88 HB3 ASN 11 HB3 ASN 11 -2.033 2.099 3.381 89 HD21 ASN 11 HD21 ASN 11 -4.046 4.085 4.240 90 HD22 ASN 11 HD22 ASN 11 -4.077 5.302 3.021 91 H LYS 12 HN LYS 12 -4.102 -0.915 2.719 92 HA LYS 12 HA LYS 12 -1.876 -2.435 3.590 93 HB2 LYS 12 HB2 LYS 12 -4.333 -2.681 4.314 94 HB3 LYS 12 HB3 LYS 12 -4.570 -3.653 2.854 95 HG2 LYS 12 HG2 LYS 12 -2.682 -5.152 3.697 96 HG3 LYS 12 HG3 LYS 12 -2.656 -4.182 5.178 97 HD2 LYS 12 HD2 LYS 12 -5.100 -4.795 5.492 98 HD3 LYS 12 HD3 LYS 12 -4.935 -5.902 4.111 99 HE2 LYS 12 HE2 LYS 12 -3.020 -7.030 5.395 100 HE3 LYS 12 HE3 LYS 12 -3.452 -6.007 6.777 101 HZ1 LYS 12 HZ1 LYS 12 -4.987 -8.209 5.589 102 HZ2 LYS 12 HZ2 LYS 12 -5.771 -7.028 6.452 103 HZ3 LYS 12 HZ3 LYS 12 -4.595 -7.967 7.134 104 H LEU 13 HN LEU 13 -3.740 -2.684 0.500 105 HA LEU 13 HA LEU 13 -2.399 -4.997 -0.467 106 HB2 LEU 13 HB2 LEU 13 -3.720 -2.660 -1.879 107 HB3 LEU 13 HB3 LEU 13 -2.936 -3.972 -2.767 108 HG LEU 13 HG LEU 13 -5.217 -4.452 -0.840 109 HD11 LEU 13 HD11 LEU 13 -5.190 -4.199 -3.893 110 HD12 LEU 13 HD12 LEU 13 -5.927 -3.055 -2.757 111 HD13 LEU 13 HD13 LEU 13 -6.577 -4.704 -2.908 112 HD21 LEU 13 HD21 LEU 13 -3.890 -6.203 -2.952 113 HD22 LEU 13 HD22 LEU 13 -5.313 -6.607 -1.973 114 HD23 LEU 13 HD23 LEU 13 -3.759 -6.424 -1.193 115 H MET 14 HN MET 14 -1.419 -1.475 -0.728 116 HA MET 14 HA MET 14 0.805 -1.965 -2.347 117 HB2 MET 14 HB2 MET 14 -0.158 0.252 -1.691 118 HB3 MET 14 HB3 MET 14 0.523 0.050 -0.074 119 HG2 MET 14 HG2 MET 14 1.990 1.449 -1.398 120 HG3 MET 14 HG3 MET 14 2.799 -0.068 -1.025 121 HE1 MET 14 HE1 MET 14 3.663 2.103 -3.193 122 HE2 MET 14 HE2 MET 14 4.601 0.643 -2.791 123 HE3 MET 14 HE3 MET 14 4.239 1.027 -4.491 124 H GLY 15 HN GLY 15 0.504 -2.012 1.239 125 HA2 GLY 15 HA2 GLY 15 3.170 -2.654 1.845 126 HA3 GLY 15 HA1 GLY 15 1.751 -3.044 2.821 127 H LEU 16 HN LEU 16 0.455 -4.955 0.981 128 HA LEU 16 HA LEU 16 2.008 -7.316 1.475 129 HB2 LEU 16 HB2 LEU 16 -0.411 -6.724 -0.286 130 HB3 LEU 16 HB3 LEU 16 0.456 -8.218 -0.430 131 HG LEU 16 HG LEU 16 -1.286 -8.823 0.869 132 HD11 LEU 16 HD11 LEU 16 0.886 -9.548 1.916 133 HD12 LEU 16 HD12 LEU 16 -0.489 -9.501 3.024 134 HD13 LEU 16 HD13 LEU 16 0.725 -8.213 3.066 135 HD21 LEU 16 HD21 LEU 16 -0.947 -6.366 2.587 136 HD22 LEU 16 HD22 LEU 16 -2.164 -7.642 2.819 137 HD23 LEU 16 HD23 LEU 16 -2.209 -6.633 1.364 138 H TRP 17 HN TRP 17 1.619 -5.277 -1.490 139 HA TRP 17 HA TRP 17 3.183 -6.964 -3.174 140 HB2 TRP 17 HB2 TRP 17 1.810 -5.223 -4.139 141 HB3 TRP 17 HB3 TRP 17 2.689 -3.967 -3.274 142 HD1 TRP 17 HD1 TRP 17 3.438 -6.660 -5.960 143 HE1 TRP 17 HE1 TRP 17 5.467 -5.954 -7.320 144 HE3 TRP 17 HE3 TRP 17 4.430 -2.191 -3.700 145 HZ2 TRP 17 HZ2 TRP 17 7.206 -3.640 -7.551 146 HZ3 TRP 17 HZ3 TRP 17 6.307 -0.770 -4.477 147 HH2 TRP 17 HH2 TRP 17 7.689 -1.492 -6.432 148 H VAL 18 HN VAL 18 4.138 -4.098 -1.237 149 HA VAL 18 HA VAL 18 6.882 -4.123 -1.823 150 HB VAL 18 HB VAL 18 5.478 -3.316 0.736 151 HG11 VAL 18 HG11 VAL 18 8.184 -2.438 -0.354 152 HG12 VAL 18 HG12 VAL 18 7.362 -1.706 1.039 153 HG13 VAL 18 HG13 VAL 18 7.882 -3.379 1.125 154 HG21 VAL 18 HG21 VAL 18 4.920 -1.292 -0.084 155 HG22 VAL 18 HG22 VAL 18 6.213 -1.256 -1.313 156 HG23 VAL 18 HG23 VAL 18 4.755 -2.192 -1.577 157 H ALA 19 HN ALA 19 5.135 -5.779 0.901 158 HA ALA 19 HA ALA 19 7.343 -6.762 2.263 159 HB1 ALA 19 HB1 ALA 19 4.597 -8.033 1.855 160 HB2 ALA 19 HB2 ALA 19 5.770 -8.509 3.085 161 HB3 ALA 19 HB3 ALA 19 5.057 -6.887 3.135 162 H GLU 20 HN GLU 20 5.616 -8.231 -0.474 163 HA GLU 20 HA GLU 20 7.201 -10.623 -0.649 164 HB2 GLU 20 HB2 GLU 20 4.989 -10.552 -1.505 165 HB3 GLU 20 HB3 GLU 20 5.293 -9.089 -2.424 166 HG2 GLU 20 HG2 GLU 20 6.727 -10.328 -3.999 167 HG3 GLU 20 HG3 GLU 20 6.509 -11.791 -3.041 168 H VAL 21 HN VAL 21 7.500 -7.405 -2.231 169 HA VAL 21 HA VAL 21 9.784 -8.113 -3.829 170 HB VAL 21 HB VAL 21 8.879 -5.395 -2.774 171 HG11 VAL 21 HG11 VAL 21 10.286 -4.466 -4.603 172 HG12 VAL 21 HG12 VAL 21 11.251 -5.252 -3.356 173 HG13 VAL 21 HG13 VAL 21 10.964 -6.087 -4.897 174 HG21 VAL 21 HG21 VAL 21 8.055 -5.067 -5.068 175 HG22 VAL 21 HG22 VAL 21 8.552 -6.718 -5.505 176 HG23 VAL 21 HG23 VAL 21 7.265 -6.443 -4.324 177 H LEU 22 HN LEU 22 9.442 -7.182 -0.406 178 HA LEU 22 HA LEU 22 12.324 -7.223 0.139 179 HB2 LEU 22 HB2 LEU 22 9.790 -6.779 1.723 180 HB3 LEU 22 HB3 LEU 22 11.230 -7.292 2.581 181 HG LEU 22 HG LEU 22 12.506 -5.392 1.748 182 HD11 LEU 22 HD11 LEU 22 9.900 -4.458 0.494 183 HD12 LEU 22 HD12 LEU 22 11.379 -4.913 -0.373 184 HD13 LEU 22 HD13 LEU 22 11.365 -3.488 0.683 185 HD21 LEU 22 HD21 LEU 22 11.318 -5.175 3.885 186 HD22 LEU 22 HD22 LEU 22 9.846 -4.628 3.037 187 HD23 LEU 22 HD23 LEU 22 11.314 -3.630 3.035 188 H GLY 23 HN GLY 23 10.274 -9.735 -0.632 189 HA2 GLY 23 HA2 GLY 23 10.538 -11.992 -0.459 190 HA3 GLY 23 HA1 GLY 23 12.059 -11.734 0.399 191 H LYS 24 HN LYS 24 9.533 -10.054 1.967 192 HA LYS 24 HA LYS 24 9.608 -11.739 4.317 193 HB2 LYS 24 HB2 LYS 24 7.699 -9.541 3.444 194 HB3 LYS 24 HB3 LYS 24 7.609 -10.330 5.014 195 HG2 LYS 24 HG2 LYS 24 9.748 -9.463 5.690 196 HG3 LYS 24 HG3 LYS 24 10.072 -8.807 4.071 197 HD2 LYS 24 HD2 LYS 24 8.190 -7.270 4.259 198 HD3 LYS 24 HD3 LYS 24 7.711 -7.944 5.810 199 HE2 LYS 24 HE2 LYS 24 10.374 -6.540 5.271 200 HE3 LYS 24 HE3 LYS 24 8.936 -5.754 5.929 201 HZ1 LYS 24 HZ1 LYS 24 9.052 -7.389 7.788 202 HZ2 LYS 24 HZ2 LYS 24 10.234 -6.284 7.732 203 HZ3 LYS 24 HZ3 LYS 24 10.552 -7.831 7.262 204 H SER 25 HN SER 25 7.649 -12.833 5.195 205 HA SER 25 HA SER 25 5.896 -14.006 3.120 206 HB2 SER 25 HB2 SER 25 6.604 -16.256 4.080 207 HB3 SER 25 HB3 SER 25 7.817 -15.418 3.114 208 HG SER 25 HG SER 25 8.542 -16.350 5.135 209 H GLY 26 HN GLY 26 4.492 -15.730 4.430 210 HA2 GLY 26 HA2 GLY 26 2.954 -16.181 6.031 211 HA3 GLY 26 HA1 GLY 26 4.315 -15.859 7.106 212 H ASP 27 HN ASP 27 3.668 -14.699 8.751 213 HA ASP 27 HA ASP 27 1.473 -12.745 8.515 214 HB2 ASP 27 HB2 ASP 27 2.904 -14.025 10.850 215 HB3 ASP 27 HB3 ASP 27 1.981 -12.539 11.038 216 H GLU 28 HN GLU 28 5.026 -12.814 8.839 217 HA GLU 28 HA GLU 28 5.618 -10.258 9.608 218 HB2 GLU 28 HB2 GLU 28 6.777 -12.410 7.850 219 HB3 GLU 28 HB3 GLU 28 7.501 -10.830 7.774 220 HG2 GLU 28 HG2 GLU 28 8.473 -12.558 9.387 221 HG3 GLU 28 HG3 GLU 28 8.256 -10.911 9.963 222 H ALA 29 HN ALA 29 4.675 -11.417 6.353 223 HA ALA 29 HA ALA 29 4.853 -8.858 5.065 224 HB1 ALA 29 HB1 ALA 29 3.520 -9.965 3.285 225 HB2 ALA 29 HB2 ALA 29 4.829 -11.018 3.853 226 HB3 ALA 29 HB3 ALA 29 3.161 -11.311 4.380 227 H ASN 30 HN ASN 30 2.368 -10.286 7.033 228 HA ASN 30 HA ASN 30 0.159 -8.587 6.014 229 HB2 ASN 30 HB2 ASN 30 0.329 -10.793 8.103 230 HB3 ASN 30 HB3 ASN 30 -0.990 -9.646 8.128 231 HD21 ASN 30 HD21 ASN 30 0.516 -12.241 6.064 232 HD22 ASN 30 HD22 ASN 30 -0.967 -12.525 5.209 233 H ALA 31 HN ALA 31 2.257 -8.982 8.851 234 HA ALA 31 HA ALA 31 1.390 -6.791 10.437 235 HB1 ALA 31 HB1 ALA 31 3.677 -6.992 11.393 236 HB2 ALA 31 HB2 ALA 31 2.830 -8.553 11.320 237 HB3 ALA 31 HB3 ALA 31 4.102 -8.171 10.140 238 H TYR 32 HN TYR 32 4.083 -7.061 8.007 239 HA TYR 32 HA TYR 32 4.885 -4.362 8.130 240 HB2 TYR 32 HB2 TYR 32 6.188 -6.069 6.979 241 HB3 TYR 32 HB3 TYR 32 4.925 -6.281 5.766 242 HD1 TYR 32 HD1 TYR 32 4.540 -4.563 4.028 243 HD2 TYR 32 HD2 TYR 32 7.608 -4.006 7.007 244 HE1 TYR 32 HE1 TYR 32 5.392 -2.578 2.811 245 HE2 TYR 32 HE2 TYR 32 8.568 -2.183 5.710 246 HH TYR 32 HH TYR 32 7.970 -0.532 4.205 247 H ALA 33 HN ALA 33 2.361 -5.884 6.075 248 HA ALA 33 HA ALA 33 1.693 -3.525 4.702 249 HB1 ALA 33 HB1 ALA 33 -0.098 -5.901 5.363 250 HB2 ALA 33 HB2 ALA 33 -0.362 -4.699 4.083 251 HB3 ALA 33 HB3 ALA 33 1.026 -5.803 3.988 252 H ALA 34 HN ALA 34 0.745 -4.478 7.971 253 HA ALA 34 HA ALA 34 -1.399 -2.495 8.123 254 HB1 ALA 34 HB1 ALA 34 0.097 -4.008 10.285 255 HB2 ALA 34 HB2 ALA 34 -1.304 -2.962 10.547 256 HB3 ALA 34 HB3 ALA 34 -1.477 -4.448 9.586 257 H GLU 35 HN GLU 35 2.134 -2.643 8.905 258 HA GLU 35 HA GLU 35 2.221 -0.111 10.181 259 HB2 GLU 35 HB2 GLU 35 4.484 -1.254 8.557 260 HB3 GLU 35 HB3 GLU 35 4.549 -0.159 9.929 261 HG2 GLU 35 HG2 GLU 35 4.015 -3.121 9.886 262 HG3 GLU 35 HG3 GLU 35 5.232 -2.193 10.726 263 H VAL 36 HN VAL 36 2.382 -1.008 6.752 264 HA VAL 36 HA VAL 36 2.961 1.621 5.730 265 HB VAL 36 HB VAL 36 1.643 -0.854 4.541 266 HG11 VAL 36 HG11 VAL 36 2.354 1.737 3.110 267 HG12 VAL 36 HG12 VAL 36 1.971 0.195 2.306 268 HG13 VAL 36 HG13 VAL 36 0.736 1.006 3.268 269 HG21 VAL 36 HG21 VAL 36 4.052 -1.044 5.048 270 HG22 VAL 36 HG22 VAL 36 3.794 -0.976 3.302 271 HG23 VAL 36 HG23 VAL 36 4.376 0.456 4.161 272 H VAL 37 HN VAL 37 -0.145 -0.043 6.480 273 HA VAL 37 HA VAL 37 -1.854 2.095 5.613 274 HB VAL 37 HB VAL 37 -2.249 -0.113 7.683 275 HG11 VAL 37 HG11 VAL 37 -4.350 1.723 6.486 276 HG12 VAL 37 HG12 VAL 37 -4.681 0.274 7.455 277 HG13 VAL 37 HG13 VAL 37 -3.864 1.664 8.187 278 HG21 VAL 37 HG21 VAL 37 -1.945 -0.727 5.196 279 HG22 VAL 37 HG22 VAL 37 -3.400 -1.320 6.007 280 HG23 VAL 37 HG23 VAL 37 -3.490 0.081 4.937 281 H LYS 38 HN LYS 38 -0.345 1.361 8.815 282 HA LYS 38 HA LYS 38 -1.787 3.385 10.136 283 HB2 LYS 38 HB2 LYS 38 0.224 1.374 10.797 284 HB3 LYS 38 HB3 LYS 38 0.681 2.902 11.518 285 HG2 LYS 38 HG2 LYS 38 -1.761 3.061 12.383 286 HG3 LYS 38 HG3 LYS 38 -1.932 1.378 11.863 287 HD2 LYS 38 HD2 LYS 38 -1.427 1.390 14.198 288 HD3 LYS 38 HD3 LYS 38 0.025 0.793 13.374 289 HE2 LYS 38 HE2 LYS 38 1.282 2.593 14.045 290 HE3 LYS 38 HE3 LYS 38 0.007 3.733 13.629 291 HZ1 LYS 38 HZ1 LYS 38 0.156 2.183 16.141 292 HZ2 LYS 38 HZ2 LYS 38 -1.092 3.187 15.704 293 HZ3 LYS 38 HZ3 LYS 38 0.374 3.807 15.976 294 H ALA 39 HN ALA 39 0.669 4.033 7.906 295 HA ALA 39 HA ALA 39 1.654 6.286 9.528 296 HB1 ALA 39 HB1 ALA 39 3.315 4.705 8.473 297 HB2 ALA 39 HB2 ALA 39 2.757 5.279 6.870 298 HB3 ALA 39 HB3 ALA 39 3.533 6.394 7.981 299 H ASP 40 HN ASP 40 -0.848 5.992 7.422 300 HA ASP 40 HA ASP 40 -0.454 8.548 6.072 301 HB2 ASP 40 HB2 ASP 40 -2.285 8.135 4.852 302 HB3 ASP 40 HB3 ASP 40 -1.769 6.494 5.164 303 H PHE 41 HN PHE 41 -3.346 9.374 6.744 304 HA PHE 41 HA PHE 41 -4.477 10.633 8.171 305 HB2 PHE 41 HB2 PHE 41 -2.730 9.869 10.509 306 HB3 PHE 41 HB3 PHE 41 -4.405 10.332 10.503 307 HD1 PHE 41 HD2 PHE 41 -6.179 8.669 9.805 308 HD2 PHE 41 HD1 PHE 41 -2.026 7.509 10.259 309 HE1 PHE 41 HE2 PHE 41 -6.825 6.286 10.025 310 HE2 PHE 41 HE1 PHE 41 -2.627 5.252 10.393 311 HZ PHE 41 HZ PHE 41 -5.065 4.538 10.310 312 H GLU 42 HN GLU 42 -1.044 11.081 8.085 313 HA GLU 42 HA GLU 42 -1.120 13.726 9.402 314 HB2 GLU 42 HB2 GLU 42 1.072 11.840 8.476 315 HB3 GLU 42 HB3 GLU 42 1.416 13.488 9.002 316 HG2 GLU 42 HG2 GLU 42 -0.013 11.413 10.716 317 HG3 GLU 42 HG3 GLU 42 1.728 11.712 10.756 318 H GLU 43 HN GLU 43 0.445 12.389 6.401 319 HA GLU 43 HA GLU 43 0.253 14.808 4.937 320 HB2 GLU 43 HB2 GLU 43 0.632 13.404 2.968 321 HB3 GLU 43 HB3 GLU 43 1.823 13.165 4.241 322 HG2 GLU 43 HG2 GLU 43 -0.560 11.323 4.245 323 HG3 GLU 43 HG3 GLU 43 0.568 11.168 2.906 324 H ALA 44 HN ALA 44 -1.000 15.193 3.036 325 HA ALA 44 HA ALA 44 -3.679 13.907 2.892 326 HB1 ALA 44 HB1 ALA 44 -3.987 16.112 3.834 327 HB2 ALA 44 HB2 ALA 44 -3.000 16.853 2.559 328 HB3 ALA 44 HB3 ALA 44 -4.563 16.102 2.160 329 H GLY 45 HN GLY 45 -2.625 12.426 1.466 330 HA2 GLY 45 HA2 GLY 45 -2.973 11.932 -0.874 331 HA3 GLY 45 HA1 GLY 45 -2.294 13.496 -1.312 332 H HIS 46 HN HIS 46 -1.538 10.337 0.076 333 HA HIS 46 HA HIS 46 0.216 9.078 0.318 334 HB2 HIS 46 HB2 HIS 46 1.076 8.297 -1.784 335 HB3 HIS 46 HB3 HIS 46 -0.642 8.643 -1.831 336 HD1 HIS 46 HD1 HIS 46 1.949 11.444 -2.589 337 HD2 HIS 46 HD2 HIS 46 -0.855 8.889 -4.423 338 HE1 HIS 46 HE1 HIS 46 1.831 12.139 -5.011 339 H GLU 47 HN GLU 47 1.039 12.072 0.590 340 HA GLU 47 HA GLU 47 3.398 12.481 -0.567 341 HB2 GLU 47 HB2 GLU 47 1.760 14.062 0.675 342 HB3 GLU 47 HB3 GLU 47 2.707 13.719 2.118 343 HG2 GLU 47 HG2 GLU 47 3.394 15.821 1.115 344 HG3 GLU 47 HG3 GLU 47 4.707 14.647 1.045 345 H ASP 48 HN ASP 48 3.065 11.203 2.822 346 HA ASP 48 HA ASP 48 5.989 10.779 2.874 347 HB2 ASP 48 HB2 ASP 48 4.633 11.875 4.810 348 HB3 ASP 48 HB3 ASP 48 4.193 10.221 5.235 349 H VAL 49 HN VAL 49 2.908 9.015 2.846 350 HA VAL 49 HA VAL 49 3.639 6.446 3.315 351 HB VAL 49 HB VAL 49 1.811 7.521 1.120 352 HG11 VAL 49 HG11 VAL 49 2.133 4.617 1.912 353 HG12 VAL 49 HG12 VAL 49 0.795 5.270 0.919 354 HG13 VAL 49 HG13 VAL 49 2.447 5.328 0.317 355 HG21 VAL 49 HG21 VAL 49 0.863 7.931 3.292 356 HG22 VAL 49 HG22 VAL 49 -0.020 6.597 2.610 357 HG23 VAL 49 HG23 VAL 49 1.221 6.309 3.866 358 H MET 50 HN MET 50 4.326 8.254 0.292 359 HA MET 50 HA MET 50 5.643 6.071 -1.041 360 HB2 MET 50 HB2 MET 50 6.053 9.044 -1.422 361 HB3 MET 50 HB3 MET 50 6.655 7.759 -2.484 362 HG2 MET 50 HG2 MET 50 3.694 8.180 -1.980 363 HG3 MET 50 HG3 MET 50 4.600 9.009 -3.229 364 HE1 MET 50 HE1 MET 50 4.343 5.057 -2.132 365 HE2 MET 50 HE2 MET 50 2.769 5.895 -2.122 366 HE3 MET 50 HE3 MET 50 3.138 4.674 -3.361 367 H ARG 51 HN ARG 51 7.009 8.653 1.191 368 HA ARG 51 HA ARG 51 9.706 7.830 0.798 369 HB2 ARG 51 HB2 ARG 51 8.250 9.324 3.030 370 HB3 ARG 51 HB3 ARG 51 9.971 9.069 2.942 371 HG2 ARG 51 HG2 ARG 51 9.143 10.123 0.379 372 HG3 ARG 51 HG3 ARG 51 8.365 11.074 1.629 373 HD2 ARG 51 HD2 ARG 51 11.337 10.495 1.378 374 HD3 ARG 51 HD3 ARG 51 10.555 12.004 0.931 375 HE ARG 51 HE ARG 51 9.888 12.237 3.337 376 HH11 ARG 51 HH11 ARG 51 12.760 10.170 2.628 377 HH12 ARG 51 HH12 ARG 51 13.615 10.803 4.010 378 HH21 ARG 51 HH21 ARG 51 10.974 12.743 5.233 379 HH22 ARG 51 HH22 ARG 51 12.395 11.909 5.731 380 H LYS 52 HN LYS 52 7.230 7.078 3.258 381 HA LYS 52 HA LYS 52 8.617 5.407 4.963 382 HB2 LYS 52 HB2 LYS 52 6.242 6.266 5.118 383 HB3 LYS 52 HB3 LYS 52 5.723 4.994 4.023 384 HG2 LYS 52 HG2 LYS 52 7.191 4.380 6.594 385 HG3 LYS 52 HG3 LYS 52 5.481 4.761 6.602 386 HD2 LYS 52 HD2 LYS 52 4.939 2.800 5.292 387 HD3 LYS 52 HD3 LYS 52 6.641 2.428 5.025 388 HE2 LYS 52 HE2 LYS 52 5.571 0.986 6.827 389 HE3 LYS 52 HE3 LYS 52 7.020 1.834 7.295 390 HZ1 LYS 52 HZ1 LYS 52 5.653 3.549 8.340 391 HZ2 LYS 52 HZ2 LYS 52 5.438 2.124 9.036 392 HZ3 LYS 52 HZ3 LYS 52 4.275 2.664 8.037 393 H VAL 53 HN VAL 53 6.914 4.454 1.945 394 HA VAL 53 HA VAL 53 7.751 1.702 2.324 395 HB VAL 53 HB VAL 53 5.506 2.661 1.422 396 HG11 VAL 53 HG11 VAL 53 5.334 2.834 -1.051 397 HG12 VAL 53 HG12 VAL 53 6.268 4.135 -0.322 398 HG13 VAL 53 HG13 VAL 53 7.108 2.860 -1.168 399 HG21 VAL 53 HG21 VAL 53 6.815 0.321 0.223 400 HG22 VAL 53 HG22 VAL 53 5.803 0.425 1.666 401 HG23 VAL 53 HG23 VAL 53 5.088 0.780 0.075 402 H LEU 54 HN LEU 54 9.013 4.439 0.536 403 HA LEU 54 HA LEU 54 10.588 2.870 -1.328 404 HB2 LEU 54 HB2 LEU 54 10.477 5.789 -0.523 405 HB3 LEU 54 HB3 LEU 54 11.711 5.192 -1.605 406 HG LEU 54 HG LEU 54 8.776 4.755 -2.230 407 HD11 LEU 54 HD11 LEU 54 8.903 6.778 -3.618 408 HD12 LEU 54 HD12 LEU 54 10.594 7.039 -3.127 409 HD13 LEU 54 HD13 LEU 54 9.270 7.196 -1.959 410 HD21 LEU 54 HD21 LEU 54 10.398 3.338 -3.482 411 HD22 LEU 54 HD22 LEU 54 11.267 4.798 -3.997 412 HD23 LEU 54 HD23 LEU 54 9.593 4.516 -4.528 413 H GLY 55 HN GLY 55 11.322 4.704 1.713 414 HA2 GLY 55 HA2 GLY 55 14.110 4.041 1.775 415 HA3 GLY 55 HA1 GLY 55 13.098 4.466 3.168 416 H ASP 56 HN ASP 56 11.173 2.269 2.745 417 HA ASP 56 HA ASP 56 12.520 0.128 4.098 418 HB2 ASP 56 HB2 ASP 56 9.764 0.447 2.878 419 HB3 ASP 56 HB3 ASP 56 10.294 -1.078 3.580 420 H LEU 57 HN LEU 57 11.488 0.602 0.696 421 HA LEU 57 HA LEU 57 12.460 -1.950 -0.274 422 HB2 LEU 57 HB2 LEU 57 11.927 0.736 -1.576 423 HB3 LEU 57 HB3 LEU 57 12.769 -0.511 -2.459 424 HG LEU 57 HG LEU 57 9.991 -0.841 -1.298 425 HD11 LEU 57 HD11 LEU 57 9.368 -0.663 -3.757 426 HD12 LEU 57 HD12 LEU 57 11.061 -0.298 -4.121 427 HD13 LEU 57 HD13 LEU 57 10.152 0.837 -3.152 428 HD21 LEU 57 HD21 LEU 57 11.354 -2.587 -3.388 429 HD22 LEU 57 HD22 LEU 57 9.771 -2.830 -2.608 430 HD23 LEU 57 HD23 LEU 57 11.254 -3.021 -1.676 431 H ASP 58 HN ASP 58 14.053 1.075 0.582 432 HA ASP 58 HA ASP 58 16.236 1.505 0.899 433 HB2 ASP 58 HB2 ASP 58 15.994 -0.888 1.874 434 HB3 ASP 58 HB3 ASP 58 16.877 -1.419 0.456 435 H GLY 59 HN GLY 59 15.040 1.099 -1.968 436 HA2 GLY 59 HA2 GLY 59 16.061 1.932 -3.982 437 HA3 GLY 59 HA1 GLY 59 17.593 1.212 -3.510 438 H LYS 60 HN LYS 60 14.996 -1.022 -2.863 439 HA LYS 60 HA LYS 60 15.946 -2.905 -4.644 440 HB2 LYS 60 HB2 LYS 60 13.653 -2.594 -2.875 441 HB3 LYS 60 HB3 LYS 60 13.457 -3.783 -4.121 442 HG2 LYS 60 HG2 LYS 60 15.535 -4.888 -3.428 443 HG3 LYS 60 HG3 LYS 60 15.733 -3.729 -2.100 444 HD2 LYS 60 HD2 LYS 60 13.589 -4.486 -1.120 445 HD3 LYS 60 HD3 LYS 60 13.321 -5.551 -2.512 446 HE2 LYS 60 HE2 LYS 60 14.084 -6.951 -0.777 447 HE3 LYS 60 HE3 LYS 60 15.401 -6.812 -1.932 448 HZ1 LYS 60 HZ1 LYS 60 16.088 -6.606 0.392 449 HZ2 LYS 60 HZ2 LYS 60 15.209 -5.204 0.553 450 HZ3 LYS 60 HZ3 LYS 60 16.497 -5.278 -0.447 451 H ARG 61 HN ARG 61 13.379 -0.486 -5.237 452 HA ARG 61 HA ARG 61 13.178 -1.488 -7.968 453 HB2 ARG 61 HB2 ARG 61 10.756 -1.341 -6.099 454 HB3 ARG 61 HB3 ARG 61 10.582 -1.277 -7.840 455 HG2 ARG 61 HG2 ARG 61 11.814 -3.614 -6.319 456 HG3 ARG 61 HG3 ARG 61 10.155 -3.521 -6.932 457 HD2 ARG 61 HD2 ARG 61 11.035 -3.241 -9.242 458 HD3 ARG 61 HD3 ARG 61 12.686 -3.447 -8.628 459 HE ARG 61 HE ARG 61 10.908 -5.591 -7.861 460 HH11 ARG 61 HH11 ARG 61 12.681 -4.393 -10.698 461 HH12 ARG 61 HH12 ARG 61 12.932 -5.967 -11.364 462 HH21 ARG 61 HH21 ARG 61 11.188 -7.629 -8.770 463 HH22 ARG 61 HH22 ARG 61 12.134 -7.874 -10.195 464 HA PRO 62 HA PRO 62 13.280 2.725 -8.762 465 HB2 PRO 62 HB2 PRO 62 11.852 2.974 -11.142 466 HB3 PRO 62 HB3 PRO 62 13.502 2.313 -11.017 467 HG2 PRO 62 HG2 PRO 62 10.917 0.804 -11.164 468 HG3 PRO 62 HG3 PRO 62 12.460 0.451 -12.002 469 HD2 PRO 62 HD2 PRO 62 11.706 -0.872 -9.770 470 HD3 PRO 62 HD3 PRO 62 13.414 -0.432 -10.061 471 H GLU 63 HN GLU 63 12.204 4.583 -8.248 472 HA GLU 63 HA GLU 63 9.749 4.470 -6.913 473 HB2 GLU 63 HB2 GLU 63 11.549 6.055 -6.594 474 HB3 GLU 63 HB3 GLU 63 11.205 6.849 -8.134 475 HG2 GLU 63 HG2 GLU 63 9.134 7.729 -7.350 476 HG3 GLU 63 HG3 GLU 63 9.103 6.634 -5.973 477 H ALA 64 HN ALA 64 10.371 4.968 -10.323 478 HA ALA 64 HA ALA 64 7.833 5.939 -11.170 479 HB1 ALA 64 HB1 ALA 64 8.421 4.813 -13.337 480 HB2 ALA 64 HB2 ALA 64 9.705 5.848 -12.709 481 HB3 ALA 64 HB3 ALA 64 9.830 4.089 -12.544 482 H GLU 65 HN GLU 65 9.022 2.502 -10.816 483 HA GLU 65 HA GLU 65 6.546 1.308 -11.516 484 HB2 GLU 65 HB2 GLU 65 8.814 0.300 -11.638 485 HB3 GLU 65 HB3 GLU 65 8.888 0.244 -9.865 486 HG2 GLU 65 HG2 GLU 65 7.009 -1.332 -9.826 487 HG3 GLU 65 HG3 GLU 65 6.811 -1.135 -11.575 488 H VAL 66 HN VAL 66 8.072 2.111 -8.378 489 HA VAL 66 HA VAL 66 6.120 0.955 -6.698 490 HB VAL 66 HB VAL 66 7.945 3.348 -6.212 491 HG11 VAL 66 HG11 VAL 66 6.162 3.185 -4.464 492 HG12 VAL 66 HG12 VAL 66 6.617 1.498 -4.177 493 HG13 VAL 66 HG13 VAL 66 7.756 2.807 -3.819 494 HG21 VAL 66 HG21 VAL 66 9.524 1.785 -5.277 495 HG22 VAL 66 HG22 VAL 66 8.376 0.436 -5.449 496 HG23 VAL 66 HG23 VAL 66 9.118 1.166 -6.868 497 H ARG 67 HN ARG 67 6.348 4.458 -7.734 498 HA ARG 67 HA ARG 67 3.921 5.023 -6.340 499 HB2 ARG 67 HB2 ARG 67 4.039 7.211 -7.134 500 HB3 ARG 67 HB3 ARG 67 5.693 6.679 -6.886 501 HG2 ARG 67 HG2 ARG 67 5.619 6.167 -9.487 502 HG3 ARG 67 HG3 ARG 67 4.243 7.270 -9.450 503 HD2 ARG 67 HD2 ARG 67 7.133 7.801 -8.655 504 HD3 ARG 67 HD3 ARG 67 6.256 8.539 -9.985 505 HE ARG 67 HE ARG 67 6.354 9.343 -7.223 506 HH11 ARG 67 HH11 ARG 67 4.125 9.507 -10.018 507 HH12 ARG 67 HH12 ARG 67 3.550 11.080 -9.594 508 HH21 ARG 67 HH21 ARG 67 5.424 11.328 -6.611 509 HH22 ARG 67 HH22 ARG 67 4.339 12.160 -7.677 510 H ALA 68 HN ALA 68 4.486 4.005 -9.727 511 HA ALA 68 HA ALA 68 1.779 4.438 -10.583 512 HB1 ALA 68 HB1 ALA 68 3.797 2.369 -11.555 513 HB2 ALA 68 HB2 ALA 68 2.283 2.841 -12.365 514 HB3 ALA 68 HB3 ALA 68 3.601 4.019 -12.194 515 H LYS 69 HN LYS 69 3.413 1.668 -8.987 516 HA LYS 69 HA LYS 69 1.341 -0.198 -9.056 517 HB2 LYS 69 HB2 LYS 69 3.744 -0.492 -8.167 518 HB3 LYS 69 HB3 LYS 69 3.184 0.243 -6.670 519 HG2 LYS 69 HG2 LYS 69 2.961 -1.982 -6.186 520 HG3 LYS 69 HG3 LYS 69 1.328 -1.604 -6.692 521 HD2 LYS 69 HD2 LYS 69 2.054 -2.416 -9.070 522 HD3 LYS 69 HD3 LYS 69 3.557 -2.939 -8.299 523 HE2 LYS 69 HE2 LYS 69 2.320 -4.881 -8.237 524 HE3 LYS 69 HE3 LYS 69 2.049 -4.210 -6.625 525 HZ1 LYS 69 HZ1 LYS 69 -0.129 -3.434 -7.396 526 HZ2 LYS 69 HZ2 LYS 69 0.066 -5.061 -7.747 527 HZ3 LYS 69 HZ3 LYS 69 0.195 -3.953 -8.917 528 H TYR 70 HN TYR 70 2.032 2.262 -6.532 529 HA TYR 70 HA TYR 70 -0.205 1.710 -4.892 530 HB2 TYR 70 HB2 TYR 70 1.789 2.964 -4.182 531 HB3 TYR 70 HB3 TYR 70 1.372 4.289 -5.258 532 HD1 TYR 70 HD2 TYR 70 0.077 2.294 -2.332 533 HD2 TYR 70 HD1 TYR 70 -0.072 6.038 -4.502 534 HE1 TYR 70 HE2 TYR 70 -1.305 3.290 -0.542 535 HE2 TYR 70 HE1 TYR 70 -1.544 6.973 -2.768 536 HH TYR 70 HH TYR 70 -2.504 5.114 0.171 537 H GLU 71 HN GLU 71 0.234 4.264 -7.394 538 HA GLU 71 HA GLU 71 -2.293 5.457 -7.226 539 HB2 GLU 71 HB2 GLU 71 -0.337 5.030 -9.524 540 HB3 GLU 71 HB3 GLU 71 -1.782 6.022 -9.709 541 HG2 GLU 71 HG2 GLU 71 0.182 6.583 -7.450 542 HG3 GLU 71 HG3 GLU 71 0.468 7.156 -9.095 543 H GLY 72 HN GLY 72 -1.262 2.678 -9.229 544 HA2 GLY 72 HA2 GLY 72 -3.692 2.252 -10.626 545 HA3 GLY 72 HA1 GLY 72 -2.431 1.048 -10.304 546 H LEU 73 HN LEU 73 -2.692 1.387 -7.375 547 HA LEU 73 HA LEU 73 -4.429 -0.780 -7.027 548 HB2 LEU 73 HB2 LEU 73 -2.304 0.341 -5.689 549 HB3 LEU 73 HB3 LEU 73 -3.603 0.783 -4.618 550 HG LEU 73 HG LEU 73 -4.188 -1.607 -4.257 551 HD11 LEU 73 HD11 LEU 73 -1.922 -2.142 -6.280 552 HD12 LEU 73 HD12 LEU 73 -3.614 -2.618 -6.475 553 HD13 LEU 73 HD13 LEU 73 -2.649 -3.376 -5.223 554 HD21 LEU 73 HD21 LEU 73 -2.324 -0.545 -2.959 555 HD22 LEU 73 HD22 LEU 73 -1.165 -0.873 -4.251 556 HD23 LEU 73 HD23 LEU 73 -1.831 -2.208 -3.360 557 H MET 74 HN MET 74 -5.259 2.598 -6.915 558 HA MET 74 HA MET 74 -7.264 2.518 -4.916 559 HB2 MET 74 HB2 MET 74 -6.583 4.616 -5.917 560 HB3 MET 74 HB3 MET 74 -7.212 4.133 -7.504 561 HG2 MET 74 HG2 MET 74 -9.476 4.110 -6.715 562 HG3 MET 74 HG3 MET 74 -8.976 4.230 -5.029 563 HE1 MET 74 HE1 MET 74 -8.200 7.906 -4.456 564 HE2 MET 74 HE2 MET 74 -8.491 6.308 -3.754 565 HE3 MET 74 HE3 MET 74 -7.022 6.605 -4.717 566 H ALA 75 HN ALA 75 -7.519 1.605 -8.393 567 HA ALA 75 HA ALA 75 -10.351 0.937 -8.054 568 HB1 ALA 75 HB1 ALA 75 -9.367 1.784 -10.211 569 HB2 ALA 75 HB2 ALA 75 -8.550 0.217 -10.374 570 HB3 ALA 75 HB3 ALA 75 -10.309 0.292 -10.356 571 H VAL 76 HN VAL 76 -7.249 -0.830 -7.950 572 HA VAL 76 HA VAL 76 -8.319 -3.473 -8.059 573 HB VAL 76 HB VAL 76 -5.849 -2.519 -6.554 574 HG11 VAL 76 HG11 VAL 76 -6.552 -5.228 -7.739 575 HG12 VAL 76 HG12 VAL 76 -4.995 -4.787 -7.006 576 HG13 VAL 76 HG13 VAL 76 -6.451 -4.827 -6.013 577 HG21 VAL 76 HG21 VAL 76 -4.565 -3.066 -8.616 578 HG22 VAL 76 HG22 VAL 76 -6.078 -3.407 -9.468 579 HG23 VAL 76 HG23 VAL 76 -5.705 -1.759 -8.931 580 H ALA 77 HN ALA 77 -7.607 -1.234 -5.360 581 HA ALA 77 HA ALA 77 -8.136 -2.813 -3.193 582 HB1 ALA 77 HB1 ALA 77 -8.723 -0.637 -2.053 583 HB2 ALA 77 HB2 ALA 77 -7.235 -0.569 -3.022 584 HB3 ALA 77 HB3 ALA 77 -8.737 0.148 -3.625 585 H LYS 78 HN LYS 78 -10.344 -0.787 -5.100 586 HA LYS 78 HA LYS 78 -12.793 -1.451 -3.732 587 HB2 LYS 78 HB2 LYS 78 -12.103 -0.091 -6.369 588 HB3 LYS 78 HB3 LYS 78 -13.759 -0.399 -5.867 589 HG2 LYS 78 HG2 LYS 78 -13.228 0.803 -3.662 590 HG3 LYS 78 HG3 LYS 78 -11.693 1.290 -4.404 591 HD2 LYS 78 HD2 LYS 78 -13.226 3.100 -4.732 592 HD3 LYS 78 HD3 LYS 78 -13.033 2.297 -6.299 593 HE2 LYS 78 HE2 LYS 78 -15.178 0.908 -5.384 594 HE3 LYS 78 HE3 LYS 78 -15.394 2.351 -4.399 595 HZ1 LYS 78 HZ1 LYS 78 -15.307 3.619 -6.524 596 HZ2 LYS 78 HZ2 LYS 78 -16.563 2.527 -6.499 597 HZ3 LYS 78 HZ3 LYS 78 -15.213 2.201 -7.348 598 H ALA 79 HN ALA 79 -11.205 -2.893 -6.607 599 HA ALA 79 HA ALA 79 -13.420 -4.563 -7.314 600 HB1 ALA 79 HB1 ALA 79 -11.454 -4.242 -8.793 601 HB2 ALA 79 HB2 ALA 79 -10.431 -5.116 -7.622 602 HB3 ALA 79 HB3 ALA 79 -11.756 -5.954 -8.442 603 H GLN 80 HN GLN 80 -10.552 -5.110 -5.182 604 HA GLN 80 HA GLN 80 -11.330 -7.714 -4.430 605 HB2 GLN 80 HB2 GLN 80 -9.434 -5.694 -3.177 606 HB3 GLN 80 HB3 GLN 80 -9.717 -7.297 -2.499 607 HG2 GLN 80 HG2 GLN 80 -9.136 -8.289 -4.761 608 HG3 GLN 80 HG3 GLN 80 -8.677 -6.677 -5.304 609 HE21 GLN 80 HE21 GLN 80 -6.415 -7.268 -5.659 610 HE22 GLN 80 HE22 GLN 80 -5.376 -7.687 -4.325 611 H LEU 81 HN LEU 81 -12.404 -4.663 -3.053 612 HA LEU 81 HA LEU 81 -13.527 -5.897 -0.615 613 HB2 LEU 81 HB2 LEU 81 -13.986 -3.227 -2.111 614 HB3 LEU 81 HB3 LEU 81 -14.765 -3.583 -0.585 615 HG LEU 81 HG LEU 81 -11.759 -3.623 -0.802 616 HD11 LEU 81 HD11 LEU 81 -12.377 -1.458 -1.655 617 HD12 LEU 81 HD12 LEU 81 -11.795 -1.282 -0.005 618 HD13 LEU 81 HD13 LEU 81 -13.548 -1.214 -0.353 619 HD21 LEU 81 HD21 LEU 81 -13.724 -3.158 1.481 620 HD22 LEU 81 HD22 LEU 81 -11.966 -2.974 1.631 621 HD23 LEU 81 HD23 LEU 81 -12.655 -4.553 1.241 622 H MET 82 HN MET 82 -14.712 -5.364 -3.956 623 HA MET 82 HA MET 82 -17.451 -6.088 -3.121 624 HB2 MET 82 HB2 MET 82 -16.089 -5.521 -5.778 625 HB3 MET 82 HB3 MET 82 -17.803 -5.955 -5.621 626 HG2 MET 82 HG2 MET 82 -16.555 -3.650 -4.069 627 HG3 MET 82 HG3 MET 82 -17.155 -3.474 -5.690 628 HE1 MET 82 HE1 MET 82 -17.954 -2.069 -2.721 629 HE2 MET 82 HE2 MET 82 -18.484 -1.412 -4.287 630 HE3 MET 82 HE3 MET 82 -19.678 -1.763 -3.019 631 H ASP 83 HN ASP 83 -14.506 -7.548 -4.450 632 HA ASP 83 HA ASP 83 -15.740 -10.063 -5.192 633 HB2 ASP 83 HB2 ASP 83 -13.761 -9.072 -6.277 634 HB3 ASP 83 HB3 ASP 83 -12.850 -9.246 -4.771 635 H GLU 84 HN GLU 84 -14.279 -8.756 -2.220 636 HA GLU 84 HA GLU 84 -13.769 -11.234 -0.938 637 HB2 GLU 84 HB2 GLU 84 -13.452 -9.968 1.026 638 HB3 GLU 84 HB3 GLU 84 -12.874 -9.005 -0.258 639 HG2 GLU 84 HG2 GLU 84 -14.766 -7.575 -0.079 640 HG3 GLU 84 HG3 GLU 84 -15.683 -8.768 0.833 641 H LEU 85 HN LEU 85 -16.723 -9.863 -1.684 642 HA LEU 85 HA LEU 85 -18.331 -11.031 0.500 643 HB2 LEU 85 HB2 LEU 85 -18.940 -9.479 -2.038 644 HB3 LEU 85 HB3 LEU 85 -20.215 -10.336 -1.201 645 HG LEU 85 HG LEU 85 -18.429 -8.581 0.479 646 HD11 LEU 85 HD11 LEU 85 -20.622 -7.431 -1.275 647 HD12 LEU 85 HD12 LEU 85 -18.880 -7.106 -1.401 648 HD13 LEU 85 HD13 LEU 85 -19.770 -6.579 0.037 649 HD21 LEU 85 HD21 LEU 85 -20.448 -8.282 1.779 650 HD22 LEU 85 HD22 LEU 85 -20.278 -10.009 1.418 651 HD23 LEU 85 HD23 LEU 85 -21.434 -9.024 0.492 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -18.870 8.024 3.084 2 HA2 GLY 1 HA2 GLY 1 -19.103 6.009 1.714 3 HA3 GLY 1 HA1 GLY 1 -19.331 7.468 0.735 4 H MET 2 HN MET 2 -17.812 4.541 0.790 5 HA MET 2 HA MET 2 -15.976 3.556 -0.050 6 HB2 MET 2 HB2 MET 2 -16.372 5.505 -2.345 7 HB3 MET 2 HB3 MET 2 -15.621 3.909 -2.399 8 HG2 MET 2 HG2 MET 2 -17.869 2.935 -1.729 9 HG3 MET 2 HG3 MET 2 -18.541 4.551 -1.993 10 HE1 MET 2 HE1 MET 2 -19.685 5.034 -4.086 11 HE2 MET 2 HE2 MET 2 -19.806 3.804 -5.356 12 HE3 MET 2 HE3 MET 2 -20.197 3.381 -3.676 13 H GLN 3 HN GLN 3 -15.133 5.584 1.756 14 HA GLN 3 HA GLN 3 -12.630 6.552 0.446 15 HB2 GLN 3 HB2 GLN 3 -14.796 8.085 1.869 16 HB3 GLN 3 HB3 GLN 3 -13.147 8.677 1.918 17 HG2 GLN 3 HG2 GLN 3 -14.017 7.910 -0.829 18 HG3 GLN 3 HG3 GLN 3 -14.982 9.176 -0.112 19 HE21 GLN 3 HE21 GLN 3 -11.558 8.266 -0.884 20 HE22 GLN 3 HE22 GLN 3 -11.020 9.924 -0.976 21 H PHE 4 HN PHE 4 -13.906 4.904 3.107 22 HA PHE 4 HA PHE 4 -11.286 5.175 4.532 23 HB2 PHE 4 HB2 PHE 4 -14.055 5.264 5.435 24 HB3 PHE 4 HB3 PHE 4 -13.097 4.095 6.306 25 HD1 PHE 4 HD1 PHE 4 -12.003 7.461 4.952 26 HD2 PHE 4 HD2 PHE 4 -12.785 5.001 8.391 27 HE1 PHE 4 HE1 PHE 4 -11.033 9.195 6.377 28 HE2 PHE 4 HE2 PHE 4 -11.884 6.858 9.867 29 HZ PHE 4 HZ PHE 4 -10.999 8.921 8.853 30 H LYS 5 HN LYS 5 -14.148 3.094 3.995 31 HA LYS 5 HA LYS 5 -12.900 0.669 4.586 32 HB2 LYS 5 HB2 LYS 5 -15.283 1.467 2.893 33 HB3 LYS 5 HB3 LYS 5 -14.710 -0.193 2.753 34 HG2 LYS 5 HG2 LYS 5 -15.341 1.124 5.439 35 HG3 LYS 5 HG3 LYS 5 -16.482 0.177 4.511 36 HD2 LYS 5 HD2 LYS 5 -15.755 -1.712 5.439 37 HD3 LYS 5 HD3 LYS 5 -14.233 -1.494 4.595 38 HE2 LYS 5 HE2 LYS 5 -13.629 -1.706 6.833 39 HE3 LYS 5 HE3 LYS 5 -13.496 0.036 6.482 40 HZ1 LYS 5 HZ1 LYS 5 -15.435 0.433 7.683 41 HZ2 LYS 5 HZ2 LYS 5 -14.568 -0.575 8.617 42 HZ3 LYS 5 HZ3 LYS 5 -15.851 -1.173 7.775 43 H ALA 6 HN ALA 6 -13.197 2.391 1.528 44 HA ALA 6 HA ALA 6 -11.746 0.643 -0.164 45 HB1 ALA 6 HB1 ALA 6 -13.288 2.412 -0.967 46 HB2 ALA 6 HB2 ALA 6 -12.134 3.646 -0.393 47 HB3 ALA 6 HB3 ALA 6 -11.683 2.545 -1.695 48 H GLU 7 HN GLU 7 -10.724 3.479 1.796 49 HA GLU 7 HA GLU 7 -8.090 3.780 0.905 50 HB2 GLU 7 HB2 GLU 7 -9.768 4.545 3.257 51 HB3 GLU 7 HB3 GLU 7 -8.032 4.436 3.583 52 HG2 GLU 7 HG2 GLU 7 -7.621 5.954 1.629 53 HG3 GLU 7 HG3 GLU 7 -9.349 6.123 1.425 54 H ALA 8 HN ALA 8 -9.214 2.046 3.858 55 HA ALA 8 HA ALA 8 -6.779 0.983 4.607 56 HB1 ALA 8 HB1 ALA 8 -9.620 -0.066 4.890 57 HB2 ALA 8 HB2 ALA 8 -8.241 -0.863 5.672 58 HB3 ALA 8 HB3 ALA 8 -8.644 0.797 6.076 59 H ARG 9 HN ARG 9 -8.996 -0.392 2.141 60 HA ARG 9 HA ARG 9 -7.373 -2.783 1.815 61 HB2 ARG 9 HB2 ARG 9 -9.819 -2.698 1.282 62 HB3 ARG 9 HB3 ARG 9 -9.467 -1.625 -0.074 63 HG2 ARG 9 HG2 ARG 9 -9.714 -3.823 -0.988 64 HG3 ARG 9 HG3 ARG 9 -8.010 -3.455 -1.052 65 HD2 ARG 9 HD2 ARG 9 -8.045 -5.608 -0.364 66 HD3 ARG 9 HD3 ARG 9 -7.821 -4.793 1.173 67 HE ARG 9 HE ARG 9 -10.500 -5.081 1.209 68 HH11 ARG 9 HH11 ARG 9 -7.964 -7.338 0.278 69 HH12 ARG 9 HH12 ARG 9 -8.871 -8.749 0.607 70 HH21 ARG 9 HH21 ARG 9 -11.859 -7.088 1.576 71 HH22 ARG 9 HH22 ARG 9 -11.017 -8.599 1.423 72 H ARG 10 HN ARG 10 -7.528 0.381 0.128 73 HA ARG 10 HA ARG 10 -5.734 -0.212 -2.044 74 HB2 ARG 10 HB2 ARG 10 -7.257 1.809 -1.749 75 HB3 ARG 10 HB3 ARG 10 -6.090 2.470 -0.620 76 HG2 ARG 10 HG2 ARG 10 -5.213 1.609 -3.380 77 HG3 ARG 10 HG3 ARG 10 -6.106 3.102 -3.201 78 HD2 ARG 10 HD2 ARG 10 -3.741 2.772 -1.410 79 HD3 ARG 10 HD3 ARG 10 -3.420 2.976 -3.127 80 HE ARG 10 HE ARG 10 -4.502 4.915 -1.250 81 HH11 ARG 10 HH11 ARG 10 -3.412 4.310 -4.623 82 HH12 ARG 10 HH12 ARG 10 -3.661 6.000 -5.051 83 HH21 ARG 10 HH21 ARG 10 -4.742 7.195 -2.017 84 HH22 ARG 10 HH22 ARG 10 -4.268 7.521 -3.646 85 H ASN 11 HN ASN 11 -5.171 1.223 1.150 86 HA ASN 11 HA ASN 11 -2.384 1.204 0.966 87 HB2 ASN 11 HB2 ASN 11 -4.107 1.099 3.465 88 HB3 ASN 11 HB3 ASN 11 -2.404 1.572 3.369 89 HD21 ASN 11 HD21 ASN 11 -3.554 3.685 4.505 90 HD22 ASN 11 HD22 ASN 11 -4.187 4.790 3.308 91 H LYS 12 HN LYS 12 -4.581 -1.312 2.408 92 HA LYS 12 HA LYS 12 -2.630 -3.041 3.376 93 HB2 LYS 12 HB2 LYS 12 -5.020 -3.397 3.730 94 HB3 LYS 12 HB3 LYS 12 -5.204 -3.947 2.056 95 HG2 LYS 12 HG2 LYS 12 -3.466 -5.741 2.555 96 HG3 LYS 12 HG3 LYS 12 -3.442 -5.171 4.229 97 HD2 LYS 12 HD2 LYS 12 -5.923 -5.654 4.270 98 HD3 LYS 12 HD3 LYS 12 -5.737 -6.484 2.712 99 HE2 LYS 12 HE2 LYS 12 -4.179 -8.093 3.675 100 HE3 LYS 12 HE3 LYS 12 -4.055 -7.151 5.172 101 HZ1 LYS 12 HZ1 LYS 12 -6.494 -8.575 4.281 102 HZ2 LYS 12 HZ2 LYS 12 -6.372 -7.635 5.603 103 HZ3 LYS 12 HZ3 LYS 12 -5.495 -9.003 5.529 104 H LEU 13 HN LEU 13 -4.096 -3.159 0.067 105 HA LEU 13 HA LEU 13 -2.678 -5.391 -0.805 106 HB2 LEU 13 HB2 LEU 13 -3.944 -3.027 -2.202 107 HB3 LEU 13 HB3 LEU 13 -2.885 -4.085 -3.138 108 HG LEU 13 HG LEU 13 -5.365 -5.060 -1.731 109 HD11 LEU 13 HD11 LEU 13 -6.240 -5.202 -4.024 110 HD12 LEU 13 HD12 LEU 13 -4.706 -4.614 -4.687 111 HD13 LEU 13 HD13 LEU 13 -5.717 -3.544 -3.702 112 HD21 LEU 13 HD21 LEU 13 -3.781 -6.879 -1.840 113 HD22 LEU 13 HD22 LEU 13 -3.197 -6.385 -3.452 114 HD23 LEU 13 HD23 LEU 13 -4.806 -7.080 -3.247 115 H MET 14 HN MET 14 -1.568 -1.940 -0.904 116 HA MET 14 HA MET 14 0.658 -2.377 -2.483 117 HB2 MET 14 HB2 MET 14 -0.291 -0.192 -1.820 118 HB3 MET 14 HB3 MET 14 0.286 -0.422 -0.167 119 HG2 MET 14 HG2 MET 14 1.792 0.999 -1.456 120 HG3 MET 14 HG3 MET 14 2.605 -0.470 -0.940 121 HE1 MET 14 HE1 MET 14 4.533 0.268 -2.576 122 HE2 MET 14 HE2 MET 14 4.210 0.845 -4.225 123 HE3 MET 14 HE3 MET 14 3.467 1.668 -2.822 124 H GLY 15 HN GLY 15 0.505 -2.437 1.138 125 HA2 GLY 15 HA2 GLY 15 3.205 -2.974 1.549 126 HA3 GLY 15 HA1 GLY 15 1.930 -3.401 2.680 127 H LEU 16 HN LEU 16 0.628 -5.358 0.724 128 HA LEU 16 HA LEU 16 2.234 -7.650 1.384 129 HB2 LEU 16 HB2 LEU 16 -0.139 -7.205 -0.472 130 HB3 LEU 16 HB3 LEU 16 0.732 -8.707 -0.442 131 HG LEU 16 HG LEU 16 -1.083 -9.120 0.864 132 HD11 LEU 16 HD11 LEU 16 0.945 -8.393 3.019 133 HD12 LEU 16 HD12 LEU 16 1.054 -9.842 1.987 134 HD13 LEU 16 HD13 LEU 16 -0.315 -9.640 3.084 135 HD21 LEU 16 HD21 LEU 16 -1.919 -7.747 2.701 136 HD22 LEU 16 HD22 LEU 16 -1.910 -6.869 1.161 137 HD23 LEU 16 HD23 LEU 16 -0.661 -6.536 2.385 138 H TRP 17 HN TRP 17 1.947 -5.627 -1.562 139 HA TRP 17 HA TRP 17 3.747 -7.267 -3.158 140 HB2 TRP 17 HB2 TRP 17 2.266 -5.758 -4.315 141 HB3 TRP 17 HB3 TRP 17 2.873 -4.372 -3.426 142 HD1 TRP 17 HD1 TRP 17 4.094 -6.892 -6.080 143 HE1 TRP 17 HE1 TRP 17 5.977 -5.809 -7.475 144 HE3 TRP 17 HE3 TRP 17 4.572 -2.438 -3.587 145 HZ2 TRP 17 HZ2 TRP 17 7.194 -3.283 -7.731 146 HZ3 TRP 17 HZ3 TRP 17 6.079 -0.695 -4.489 147 HH2 TRP 17 HH2 TRP 17 7.378 -1.090 -6.578 148 H VAL 18 HN VAL 18 4.188 -4.266 -1.198 149 HA VAL 18 HA VAL 18 6.938 -3.936 -1.687 150 HB VAL 18 HB VAL 18 5.462 -3.412 0.909 151 HG11 VAL 18 HG11 VAL 18 7.160 -1.616 1.246 152 HG12 VAL 18 HG12 VAL 18 7.919 -3.199 1.171 153 HG13 VAL 18 HG13 VAL 18 7.977 -2.123 -0.239 154 HG21 VAL 18 HG21 VAL 18 4.915 -1.221 0.174 155 HG22 VAL 18 HG22 VAL 18 5.868 -1.407 -1.319 156 HG23 VAL 18 HG23 VAL 18 4.376 -2.293 -1.115 157 H ALA 19 HN ALA 19 5.353 -5.802 0.951 158 HA ALA 19 HA ALA 19 7.628 -6.899 2.151 159 HB1 ALA 19 HB1 ALA 19 5.982 -8.683 2.843 160 HB2 ALA 19 HB2 ALA 19 5.469 -7.013 3.182 161 HB3 ALA 19 HB3 ALA 19 4.783 -7.915 1.809 162 H GLU 20 HN GLU 20 5.656 -8.243 -0.564 163 HA GLU 20 HA GLU 20 7.129 -10.639 -0.884 164 HB2 GLU 20 HB2 GLU 20 4.999 -10.452 -1.737 165 HB3 GLU 20 HB3 GLU 20 5.303 -8.937 -2.573 166 HG2 GLU 20 HG2 GLU 20 6.623 -10.089 -4.279 167 HG3 GLU 20 HG3 GLU 20 6.390 -11.634 -3.431 168 H VAL 21 HN VAL 21 7.579 -7.415 -2.400 169 HA VAL 21 HA VAL 21 9.852 -8.093 -3.999 170 HB VAL 21 HB VAL 21 8.824 -5.496 -2.786 171 HG11 VAL 21 HG11 VAL 21 10.281 -4.264 -4.251 172 HG12 VAL 21 HG12 VAL 21 11.259 -5.255 -3.187 173 HG13 VAL 21 HG13 VAL 21 11.025 -5.777 -4.865 174 HG21 VAL 21 HG21 VAL 21 8.776 -6.463 -5.673 175 HG22 VAL 21 HG22 VAL 21 7.394 -6.524 -4.569 176 HG23 VAL 21 HG23 VAL 21 8.071 -4.960 -5.022 177 H LEU 22 HN LEU 22 9.535 -6.956 -0.602 178 HA LEU 22 HA LEU 22 12.341 -6.707 -0.105 179 HB2 LEU 22 HB2 LEU 22 9.978 -7.211 1.740 180 HB3 LEU 22 HB3 LEU 22 11.614 -7.184 2.345 181 HG LEU 22 HG LEU 22 10.387 -4.848 0.847 182 HD11 LEU 22 HD11 LEU 22 10.074 -3.800 3.064 183 HD12 LEU 22 HD12 LEU 22 10.588 -5.305 3.850 184 HD13 LEU 22 HD13 LEU 22 9.086 -5.251 2.886 185 HD21 LEU 22 HD21 LEU 22 12.236 -3.615 2.084 186 HD22 LEU 22 HD22 LEU 22 12.807 -4.737 0.847 187 HD23 LEU 22 HD23 LEU 22 12.874 -5.183 2.567 188 H GLY 23 HN GLY 23 10.272 -9.569 -0.382 189 HA2 GLY 23 HA2 GLY 23 10.984 -11.812 -0.259 190 HA3 GLY 23 HA1 GLY 23 12.533 -11.318 0.429 191 H LYS 24 HN LYS 24 9.744 -9.766 1.735 192 HA LYS 24 HA LYS 24 9.690 -11.390 4.203 193 HB2 LYS 24 HB2 LYS 24 8.053 -9.066 3.193 194 HB3 LYS 24 HB3 LYS 24 7.596 -9.985 4.612 195 HG2 LYS 24 HG2 LYS 24 9.672 -9.315 5.741 196 HG3 LYS 24 HG3 LYS 24 10.196 -8.425 4.299 197 HD2 LYS 24 HD2 LYS 24 8.244 -6.952 4.433 198 HD3 LYS 24 HD3 LYS 24 7.584 -7.854 5.801 199 HE2 LYS 24 HE2 LYS 24 10.330 -6.514 5.870 200 HE3 LYS 24 HE3 LYS 24 8.853 -5.655 6.301 201 HZ1 LYS 24 HZ1 LYS 24 8.492 -7.243 8.079 202 HZ2 LYS 24 HZ2 LYS 24 9.938 -6.522 8.210 203 HZ3 LYS 24 HZ3 LYS 24 9.850 -8.082 7.707 204 H SER 25 HN SER 25 7.784 -12.633 4.611 205 HA SER 25 HA SER 25 5.961 -13.299 2.401 206 HB2 SER 25 HB2 SER 25 6.945 -15.808 3.118 207 HB3 SER 25 HB3 SER 25 7.318 -14.924 1.639 208 HG SER 25 HG SER 25 8.796 -14.964 4.061 209 H GLY 26 HN GLY 26 4.647 -15.323 3.272 210 HA2 GLY 26 HA2 GLY 26 3.252 -16.253 4.842 211 HA3 GLY 26 HA1 GLY 26 4.672 -16.180 5.879 212 H ASP 27 HN ASP 27 4.478 -15.047 7.698 213 HA ASP 27 HA ASP 27 2.090 -13.361 8.124 214 HB2 ASP 27 HB2 ASP 27 4.130 -14.707 9.913 215 HB3 ASP 27 HB3 ASP 27 3.153 -13.370 10.509 216 H GLU 28 HN GLU 28 5.587 -12.996 7.648 217 HA GLU 28 HA GLU 28 5.982 -10.467 8.943 218 HB2 GLU 28 HB2 GLU 28 7.404 -12.216 6.979 219 HB3 GLU 28 HB3 GLU 28 7.686 -10.513 6.822 220 HG2 GLU 28 HG2 GLU 28 8.104 -10.697 9.462 221 HG3 GLU 28 HG3 GLU 28 8.499 -12.363 9.021 222 H ALA 29 HN ALA 29 4.921 -11.450 5.687 223 HA ALA 29 HA ALA 29 4.797 -8.787 4.632 224 HB1 ALA 29 HB1 ALA 29 4.806 -10.837 3.206 225 HB2 ALA 29 HB2 ALA 29 3.202 -11.280 3.838 226 HB3 ALA 29 HB3 ALA 29 3.399 -9.816 2.853 227 H ASN 30 HN ASN 30 2.582 -10.634 6.571 228 HA ASN 30 HA ASN 30 0.248 -8.910 5.961 229 HB2 ASN 30 HB2 ASN 30 0.685 -11.426 7.642 230 HB3 ASN 30 HB3 ASN 30 -0.754 -10.433 7.844 231 HD21 ASN 30 HD21 ASN 30 0.838 -12.746 5.610 232 HD22 ASN 30 HD22 ASN 30 -0.543 -12.826 4.560 233 H ALA 31 HN ALA 31 2.594 -9.460 8.560 234 HA ALA 31 HA ALA 31 1.526 -7.513 10.390 235 HB1 ALA 31 HB1 ALA 31 4.385 -8.530 9.930 236 HB2 ALA 31 HB2 ALA 31 3.832 -7.574 11.311 237 HB3 ALA 31 HB3 ALA 31 3.213 -9.213 11.071 238 H TYR 32 HN TYR 32 4.041 -7.365 7.783 239 HA TYR 32 HA TYR 32 4.688 -4.649 8.127 240 HB2 TYR 32 HB2 TYR 32 5.953 -6.253 6.765 241 HB3 TYR 32 HB3 TYR 32 4.649 -6.306 5.583 242 HD1 TYR 32 HD2 TYR 32 7.334 -4.182 7.077 243 HD2 TYR 32 HD1 TYR 32 4.314 -4.472 3.994 244 HE1 TYR 32 HE2 TYR 32 8.339 -2.275 5.928 245 HE2 TYR 32 HE1 TYR 32 5.323 -2.500 2.864 246 HH TYR 32 HH TYR 32 7.934 -0.628 4.441 247 H ALA 33 HN ALA 33 2.010 -6.084 6.285 248 HA ALA 33 HA ALA 33 1.155 -3.731 5.048 249 HB1 ALA 33 HB1 ALA 33 -0.946 -4.973 4.639 250 HB2 ALA 33 HB2 ALA 33 0.476 -6.002 4.388 251 HB3 ALA 33 HB3 ALA 33 -0.493 -6.167 5.873 252 H ALA 34 HN ALA 34 1.042 -4.256 8.437 253 HA ALA 34 HA ALA 34 -1.224 -2.356 8.792 254 HB1 ALA 34 HB1 ALA 34 0.692 -3.434 10.873 255 HB2 ALA 34 HB2 ALA 34 -0.784 -2.476 11.148 256 HB3 ALA 34 HB3 ALA 34 -0.902 -4.107 10.454 257 H GLU 35 HN GLU 35 2.431 -2.066 9.287 258 HA GLU 35 HA GLU 35 2.539 0.632 9.849 259 HB2 GLU 35 HB2 GLU 35 4.278 -1.314 8.288 260 HB3 GLU 35 HB3 GLU 35 4.656 0.397 8.294 261 HG2 GLU 35 HG2 GLU 35 4.688 0.402 10.743 262 HG3 GLU 35 HG3 GLU 35 4.481 -1.317 10.775 263 H VAL 36 HN VAL 36 2.234 -0.891 6.644 264 HA VAL 36 HA VAL 36 2.653 1.467 5.152 265 HB VAL 36 HB VAL 36 1.236 -1.144 4.613 266 HG11 VAL 36 HG11 VAL 36 2.025 0.988 2.606 267 HG12 VAL 36 HG12 VAL 36 1.544 -0.652 2.168 268 HG13 VAL 36 HG13 VAL 36 0.369 0.425 2.928 269 HG21 VAL 36 HG21 VAL 36 3.285 -1.752 3.469 270 HG22 VAL 36 HG22 VAL 36 3.986 -0.134 3.745 271 HG23 VAL 36 HG23 VAL 36 3.690 -1.249 5.111 272 H VAL 37 HN VAL 37 -0.280 0.222 6.676 273 HA VAL 37 HA VAL 37 -2.102 2.102 5.407 274 HB VAL 37 HB VAL 37 -2.297 0.482 7.981 275 HG11 VAL 37 HG11 VAL 37 -4.431 2.100 6.506 276 HG12 VAL 37 HG12 VAL 37 -4.744 0.973 7.841 277 HG13 VAL 37 HG13 VAL 37 -3.785 2.429 8.120 278 HG21 VAL 37 HG21 VAL 37 -3.714 -1.025 6.811 279 HG22 VAL 37 HG22 VAL 37 -3.707 -0.035 5.339 280 HG23 VAL 37 HG23 VAL 37 -2.235 -0.874 5.863 281 H LYS 38 HN LYS 38 -0.225 1.989 8.458 282 HA LYS 38 HA LYS 38 -1.271 4.315 9.556 283 HB2 LYS 38 HB2 LYS 38 0.013 2.034 10.371 284 HB3 LYS 38 HB3 LYS 38 1.351 3.136 10.505 285 HG2 LYS 38 HG2 LYS 38 -0.083 4.612 11.958 286 HG3 LYS 38 HG3 LYS 38 -1.409 3.444 11.741 287 HD2 LYS 38 HD2 LYS 38 1.301 2.590 12.832 288 HD3 LYS 38 HD3 LYS 38 0.095 3.277 13.904 289 HE2 LYS 38 HE2 LYS 38 -1.498 1.554 13.452 290 HE3 LYS 38 HE3 LYS 38 -0.542 0.933 12.098 291 HZ1 LYS 38 HZ1 LYS 38 0.447 0.912 14.864 292 HZ2 LYS 38 HZ2 LYS 38 1.125 0.211 13.555 293 HZ3 LYS 38 HZ3 LYS 38 -0.305 -0.386 14.135 294 H ALA 39 HN ALA 39 -0.797 5.756 7.564 295 HA ALA 39 HA ALA 39 1.434 7.508 8.360 296 HB1 ALA 39 HB1 ALA 39 2.643 6.082 6.793 297 HB2 ALA 39 HB2 ALA 39 1.349 6.263 5.580 298 HB3 ALA 39 HB3 ALA 39 2.346 7.646 6.027 299 H ASP 40 HN ASP 40 -1.096 6.799 5.958 300 HA ASP 40 HA ASP 40 -1.574 9.474 5.074 301 HB2 ASP 40 HB2 ASP 40 -2.087 7.529 3.719 302 HB3 ASP 40 HB3 ASP 40 -3.130 6.851 4.972 303 H PHE 41 HN PHE 41 -1.953 10.841 6.814 304 HA PHE 41 HA PHE 41 -4.550 10.654 8.180 305 HB2 PHE 41 HB2 PHE 41 -1.891 10.588 9.662 306 HB3 PHE 41 HB3 PHE 41 -3.409 11.024 10.428 307 HD1 PHE 41 HD1 PHE 41 -5.409 9.251 10.008 308 HD2 PHE 41 HD2 PHE 41 -1.188 8.362 9.973 309 HE1 PHE 41 HE1 PHE 41 -5.898 6.913 10.670 310 HE2 PHE 41 HE2 PHE 41 -1.673 6.062 10.731 311 HZ PHE 41 HZ PHE 41 -4.031 5.315 11.058 312 H GLU 42 HN GLU 42 -1.533 12.430 7.668 313 HA GLU 42 HA GLU 42 -2.720 14.881 8.843 314 HB2 GLU 42 HB2 GLU 42 -0.387 15.559 9.226 315 HB3 GLU 42 HB3 GLU 42 -0.823 14.045 10.027 316 HG2 GLU 42 HG2 GLU 42 0.278 12.784 8.143 317 HG3 GLU 42 HG3 GLU 42 0.836 14.323 7.486 318 H GLU 43 HN GLU 43 -0.860 13.710 6.021 319 HA GLU 43 HA GLU 43 -1.747 16.024 4.407 320 HB2 GLU 43 HB2 GLU 43 0.111 13.686 4.024 321 HB3 GLU 43 HB3 GLU 43 -0.719 14.362 2.611 322 HG2 GLU 43 HG2 GLU 43 0.394 16.332 2.651 323 HG3 GLU 43 HG3 GLU 43 0.491 16.392 4.408 324 H ALA 44 HN ALA 44 -3.207 15.675 2.731 325 HA ALA 44 HA ALA 44 -4.951 13.264 2.937 326 HB1 ALA 44 HB1 ALA 44 -5.563 16.133 2.126 327 HB2 ALA 44 HB2 ALA 44 -6.722 14.774 2.062 328 HB3 ALA 44 HB3 ALA 44 -6.072 15.318 3.625 329 H GLY 45 HN GLY 45 -2.774 12.676 1.577 330 HA2 GLY 45 HA2 GLY 45 -3.194 13.221 -1.307 331 HA3 GLY 45 HA1 GLY 45 -1.706 13.771 -0.504 332 H HIS 46 HN HIS 46 -0.213 12.428 -1.343 333 HA HIS 46 HA HIS 46 0.088 9.880 -0.267 334 HB2 HIS 46 HB2 HIS 46 0.200 8.507 -2.350 335 HB3 HIS 46 HB3 HIS 46 -1.397 8.919 -1.737 336 HD1 HIS 46 HD1 HIS 46 0.894 10.355 -4.527 337 HD2 HIS 46 HD2 HIS 46 -3.118 9.740 -3.411 338 HE1 HIS 46 HE1 HIS 46 -0.538 10.901 -6.608 339 H GLU 47 HN GLU 47 1.689 11.517 0.246 340 HA GLU 47 HA GLU 47 4.114 11.253 -1.458 341 HB2 GLU 47 HB2 GLU 47 3.457 13.633 0.338 342 HB3 GLU 47 HB3 GLU 47 4.867 13.390 -0.700 343 HG2 GLU 47 HG2 GLU 47 3.762 14.727 -2.104 344 HG3 GLU 47 HG3 GLU 47 2.935 13.258 -2.604 345 H ASP 48 HN ASP 48 2.813 11.857 1.875 346 HA ASP 48 HA ASP 48 5.100 11.146 3.326 347 HB2 ASP 48 HB2 ASP 48 2.951 12.210 4.221 348 HB3 ASP 48 HB3 ASP 48 2.234 10.587 4.241 349 H VAL 49 HN VAL 49 2.353 9.138 2.358 350 HA VAL 49 HA VAL 49 3.159 6.592 3.256 351 HB VAL 49 HB VAL 49 1.548 7.530 0.836 352 HG11 VAL 49 HG11 VAL 49 0.487 5.336 0.760 353 HG12 VAL 49 HG12 VAL 49 2.214 5.141 0.489 354 HG13 VAL 49 HG13 VAL 49 1.525 4.755 2.076 355 HG21 VAL 49 HG21 VAL 49 0.670 8.094 3.199 356 HG22 VAL 49 HG22 VAL 49 -0.407 7.196 2.135 357 HG23 VAL 49 HG23 VAL 49 0.469 6.364 3.438 358 H MET 50 HN MET 50 4.387 8.497 0.530 359 HA MET 50 HA MET 50 5.601 6.175 -0.823 360 HB2 MET 50 HB2 MET 50 6.226 9.078 -1.376 361 HB3 MET 50 HB3 MET 50 6.441 7.687 -2.412 362 HG2 MET 50 HG2 MET 50 3.767 8.888 -1.619 363 HG3 MET 50 HG3 MET 50 4.670 9.233 -3.081 364 HE1 MET 50 HE1 MET 50 2.652 6.563 -1.174 365 HE2 MET 50 HE2 MET 50 2.335 5.334 -2.416 366 HE3 MET 50 HE3 MET 50 3.951 5.449 -1.735 367 H ARG 51 HN ARG 51 6.660 9.028 1.092 368 HA ARG 51 HA ARG 51 9.433 8.315 1.256 369 HB2 ARG 51 HB2 ARG 51 7.457 10.070 2.680 370 HB3 ARG 51 HB3 ARG 51 8.716 9.459 3.746 371 HG2 ARG 51 HG2 ARG 51 9.585 10.547 1.086 372 HG3 ARG 51 HG3 ARG 51 9.041 11.699 2.319 373 HD2 ARG 51 HD2 ARG 51 10.596 10.897 3.930 374 HD3 ARG 51 HD3 ARG 51 11.059 9.507 2.932 375 HE ARG 51 HE ARG 51 11.754 11.476 1.283 376 HH11 ARG 51 HH11 ARG 51 12.371 10.938 4.706 377 HH12 ARG 51 HH12 ARG 51 13.805 11.896 4.798 378 HH21 ARG 51 HH21 ARG 51 13.877 12.443 1.258 379 HH22 ARG 51 HH22 ARG 51 14.778 12.575 2.731 380 H LYS 52 HN LYS 52 6.676 7.277 3.281 381 HA LYS 52 HA LYS 52 8.067 5.674 5.074 382 HB2 LYS 52 HB2 LYS 52 5.617 6.210 5.097 383 HB3 LYS 52 HB3 LYS 52 5.348 5.004 3.851 384 HG2 LYS 52 HG2 LYS 52 6.702 4.316 6.471 385 HG3 LYS 52 HG3 LYS 52 4.954 4.409 6.351 386 HD2 LYS 52 HD2 LYS 52 4.844 2.611 4.737 387 HD3 LYS 52 HD3 LYS 52 6.597 2.508 4.605 388 HE2 LYS 52 HE2 LYS 52 5.048 2.058 7.168 389 HE3 LYS 52 HE3 LYS 52 5.624 0.764 6.093 390 HZ1 LYS 52 HZ1 LYS 52 7.109 1.171 7.957 391 HZ2 LYS 52 HZ2 LYS 52 7.402 2.696 7.455 392 HZ3 LYS 52 HZ3 LYS 52 7.854 1.404 6.521 393 H VAL 53 HN VAL 53 6.835 4.674 1.816 394 HA VAL 53 HA VAL 53 7.788 1.991 2.296 395 HB VAL 53 HB VAL 53 5.692 2.811 1.053 396 HG11 VAL 53 HG11 VAL 53 5.788 3.061 -1.357 397 HG12 VAL 53 HG12 VAL 53 6.774 4.317 -0.619 398 HG13 VAL 53 HG13 VAL 53 7.549 2.925 -1.334 399 HG21 VAL 53 HG21 VAL 53 5.672 0.847 -0.392 400 HG22 VAL 53 HG22 VAL 53 7.404 0.601 -0.065 401 HG23 VAL 53 HG23 VAL 53 6.226 0.518 1.266 402 H LEU 54 HN LEU 54 9.045 4.786 0.544 403 HA LEU 54 HA LEU 54 10.869 3.327 -1.135 404 HB2 LEU 54 HB2 LEU 54 10.326 6.207 -0.371 405 HB3 LEU 54 HB3 LEU 54 11.920 5.878 -0.929 406 HG LEU 54 HG LEU 54 10.702 6.584 -2.777 407 HD11 LEU 54 HD11 LEU 54 11.022 4.929 -4.403 408 HD12 LEU 54 HD12 LEU 54 10.645 3.603 -3.299 409 HD13 LEU 54 HD13 LEU 54 12.169 4.511 -3.135 410 HD21 LEU 54 HD21 LEU 54 8.508 4.652 -2.215 411 HD22 LEU 54 HD22 LEU 54 8.693 5.544 -3.735 412 HD23 LEU 54 HD23 LEU 54 8.432 6.422 -2.240 413 H GLY 55 HN GLY 55 11.391 4.944 2.063 414 HA2 GLY 55 HA2 GLY 55 14.173 4.219 2.145 415 HA3 GLY 55 HA1 GLY 55 13.160 4.648 3.533 416 H ASP 56 HN ASP 56 11.178 2.502 3.018 417 HA ASP 56 HA ASP 56 12.344 0.418 4.561 418 HB2 ASP 56 HB2 ASP 56 9.729 0.772 3.081 419 HB3 ASP 56 HB3 ASP 56 10.165 -0.791 3.759 420 H LEU 57 HN LEU 57 11.546 0.564 1.037 421 HA LEU 57 HA LEU 57 11.945 -2.092 0.531 422 HB2 LEU 57 HB2 LEU 57 11.693 0.416 -0.970 423 HB3 LEU 57 HB3 LEU 57 12.785 -0.618 -1.790 424 HG LEU 57 HG LEU 57 9.850 -0.972 -1.257 425 HD11 LEU 57 HD11 LEU 57 9.854 -1.435 -3.653 426 HD12 LEU 57 HD12 LEU 57 11.617 -1.599 -3.647 427 HD13 LEU 57 HD13 LEU 57 10.892 -0.021 -3.345 428 HD21 LEU 57 HD21 LEU 57 10.428 -3.116 -0.463 429 HD22 LEU 57 HD22 LEU 57 11.643 -3.366 -1.739 430 HD23 LEU 57 HD23 LEU 57 9.895 -3.319 -2.109 431 H ASP 58 HN ASP 58 14.403 0.280 0.849 432 HA ASP 58 HA ASP 58 16.625 0.214 1.012 433 HB2 ASP 58 HB2 ASP 58 16.188 -1.880 2.376 434 HB3 ASP 58 HB3 ASP 58 16.649 -2.797 0.946 435 H GLY 59 HN GLY 59 15.404 0.538 -1.495 436 HA2 GLY 59 HA2 GLY 59 16.312 1.112 -3.527 437 HA3 GLY 59 HA1 GLY 59 17.814 0.298 -3.085 438 H LYS 60 HN LYS 60 14.592 -1.250 -3.115 439 HA LYS 60 HA LYS 60 15.710 -3.384 -4.801 440 HB2 LYS 60 HB2 LYS 60 13.655 -3.064 -2.763 441 HB3 LYS 60 HB3 LYS 60 13.347 -4.295 -3.972 442 HG2 LYS 60 HG2 LYS 60 15.615 -5.285 -3.488 443 HG3 LYS 60 HG3 LYS 60 15.807 -4.080 -2.209 444 HD2 LYS 60 HD2 LYS 60 13.461 -5.068 -1.389 445 HD3 LYS 60 HD3 LYS 60 13.943 -6.446 -2.365 446 HE2 LYS 60 HE2 LYS 60 14.542 -6.810 -0.034 447 HE3 LYS 60 HE3 LYS 60 16.008 -6.705 -1.003 448 HZ1 LYS 60 HZ1 LYS 60 16.649 -4.902 0.137 449 HZ2 LYS 60 HZ2 LYS 60 15.498 -5.274 1.234 450 HZ3 LYS 60 HZ3 LYS 60 15.165 -4.170 0.071 451 H ARG 61 HN ARG 61 13.340 -0.806 -5.232 452 HA ARG 61 HA ARG 61 12.811 -1.792 -7.928 453 HB2 ARG 61 HB2 ARG 61 10.506 -1.313 -5.973 454 HB3 ARG 61 HB3 ARG 61 10.298 -1.415 -7.704 455 HG2 ARG 61 HG2 ARG 61 11.407 -3.674 -6.031 456 HG3 ARG 61 HG3 ARG 61 9.700 -3.482 -6.437 457 HD2 ARG 61 HD2 ARG 61 10.217 -3.675 -8.819 458 HD3 ARG 61 HD3 ARG 61 11.939 -3.829 -8.470 459 HE ARG 61 HE ARG 61 9.770 -5.773 -7.962 460 HH11 ARG 61 HH11 ARG 61 13.252 -5.080 -7.415 461 HH12 ARG 61 HH12 ARG 61 13.742 -6.720 -7.614 462 HH21 ARG 61 HH21 ARG 61 10.400 -7.993 -7.828 463 HH22 ARG 61 HH22 ARG 61 12.063 -8.437 -7.681 464 HA PRO 62 HA PRO 62 13.313 2.459 -8.508 465 HB2 PRO 62 HB2 PRO 62 11.858 2.966 -10.820 466 HB3 PRO 62 HB3 PRO 62 13.458 2.170 -10.774 467 HG2 PRO 62 HG2 PRO 62 10.731 0.905 -10.974 468 HG3 PRO 62 HG3 PRO 62 12.228 0.464 -11.855 469 HD2 PRO 62 HD2 PRO 62 11.369 -0.919 -9.682 470 HD3 PRO 62 HD3 PRO 62 13.110 -0.655 -9.987 471 H GLU 63 HN GLU 63 12.400 4.423 -8.041 472 HA GLU 63 HA GLU 63 10.061 4.579 -6.472 473 HB2 GLU 63 HB2 GLU 63 11.938 6.078 -6.296 474 HB3 GLU 63 HB3 GLU 63 11.691 6.699 -7.914 475 HG2 GLU 63 HG2 GLU 63 9.935 8.060 -7.299 476 HG3 GLU 63 HG3 GLU 63 9.399 7.012 -5.993 477 H ALA 64 HN ALA 64 10.576 5.053 -9.940 478 HA ALA 64 HA ALA 64 8.083 6.155 -10.684 479 HB1 ALA 64 HB1 ALA 64 8.580 5.049 -12.902 480 HB2 ALA 64 HB2 ALA 64 9.907 6.037 -12.271 481 HB3 ALA 64 HB3 ALA 64 9.973 4.262 -12.146 482 H GLU 65 HN GLU 65 9.003 2.609 -10.513 483 HA GLU 65 HA GLU 65 6.399 1.683 -11.165 484 HB2 GLU 65 HB2 GLU 65 8.500 0.341 -11.348 485 HB3 GLU 65 HB3 GLU 65 8.630 0.308 -9.578 486 HG2 GLU 65 HG2 GLU 65 6.455 -0.858 -9.429 487 HG3 GLU 65 HG3 GLU 65 6.251 -0.671 -11.169 488 H VAL 66 HN VAL 66 8.112 2.334 -8.094 489 HA VAL 66 HA VAL 66 6.241 1.170 -6.379 490 HB VAL 66 HB VAL 66 8.238 3.409 -5.939 491 HG11 VAL 66 HG11 VAL 66 6.675 3.619 -4.099 492 HG12 VAL 66 HG12 VAL 66 6.616 1.870 -3.867 493 HG13 VAL 66 HG13 VAL 66 8.099 2.795 -3.527 494 HG21 VAL 66 HG21 VAL 66 8.358 0.483 -5.086 495 HG22 VAL 66 HG22 VAL 66 9.093 1.067 -6.576 496 HG23 VAL 66 HG23 VAL 66 9.660 1.686 -5.028 497 H ARG 67 HN ARG 67 6.308 4.708 -7.369 498 HA ARG 67 HA ARG 67 3.831 5.109 -5.878 499 HB2 ARG 67 HB2 ARG 67 3.478 7.129 -7.423 500 HB3 ARG 67 HB3 ARG 67 4.598 7.175 -6.110 501 HG2 ARG 67 HG2 ARG 67 5.791 6.417 -8.746 502 HG3 ARG 67 HG3 ARG 67 5.091 8.034 -8.637 503 HD2 ARG 67 HD2 ARG 67 7.093 6.968 -6.632 504 HD3 ARG 67 HD3 ARG 67 7.534 7.926 -8.052 505 HE ARG 67 HE ARG 67 6.031 9.718 -7.126 506 HH11 ARG 67 HH11 ARG 67 7.537 7.442 -4.845 507 HH12 ARG 67 HH12 ARG 67 8.016 8.695 -3.750 508 HH21 ARG 67 HH21 ARG 67 6.057 11.163 -5.398 509 HH22 ARG 67 HH22 ARG 67 6.907 10.787 -3.926 510 H ALA 68 HN ALA 68 4.440 4.240 -9.305 511 HA ALA 68 HA ALA 68 1.755 4.517 -10.145 512 HB1 ALA 68 HB1 ALA 68 2.377 3.071 -11.988 513 HB2 ALA 68 HB2 ALA 68 3.716 4.179 -11.621 514 HB3 ALA 68 HB3 ALA 68 3.803 2.481 -11.108 515 H LYS 69 HN LYS 69 3.413 1.749 -8.613 516 HA LYS 69 HA LYS 69 1.437 -0.201 -8.685 517 HB2 LYS 69 HB2 LYS 69 3.829 -0.325 -7.730 518 HB3 LYS 69 HB3 LYS 69 3.164 0.352 -6.251 519 HG2 LYS 69 HG2 LYS 69 3.017 -1.889 -5.776 520 HG3 LYS 69 HG3 LYS 69 1.412 -1.655 -6.455 521 HD2 LYS 69 HD2 LYS 69 2.461 -2.388 -8.721 522 HD3 LYS 69 HD3 LYS 69 3.910 -2.745 -7.777 523 HE2 LYS 69 HE2 LYS 69 3.211 -4.738 -7.387 524 HE3 LYS 69 HE3 LYS 69 1.960 -4.070 -6.340 525 HZ1 LYS 69 HZ1 LYS 69 0.882 -5.419 -7.870 526 HZ2 LYS 69 HZ2 LYS 69 1.809 -4.943 -9.142 527 HZ3 LYS 69 HZ3 LYS 69 0.667 -3.927 -8.555 528 H TYR 70 HN TYR 70 1.939 2.309 -6.178 529 HA TYR 70 HA TYR 70 -0.340 1.632 -4.589 530 HB2 TYR 70 HB2 TYR 70 1.681 2.743 -3.731 531 HB3 TYR 70 HB3 TYR 70 1.351 4.166 -4.719 532 HD1 TYR 70 HD2 TYR 70 -0.105 2.014 -2.003 533 HD2 TYR 70 HD1 TYR 70 0.110 5.968 -3.761 534 HE1 TYR 70 HE2 TYR 70 -1.501 2.933 -0.158 535 HE2 TYR 70 HE1 TYR 70 -1.329 6.833 -1.939 536 HH TYR 70 HH TYR 70 -2.289 6.417 0.210 537 H GLU 71 HN GLU 71 0.243 4.320 -6.926 538 HA GLU 71 HA GLU 71 -2.274 5.555 -6.557 539 HB2 GLU 71 HB2 GLU 71 -0.285 5.684 -8.830 540 HB3 GLU 71 HB3 GLU 71 -1.750 6.648 -8.760 541 HG2 GLU 71 HG2 GLU 71 -1.018 7.547 -6.532 542 HG3 GLU 71 HG3 GLU 71 0.500 6.698 -6.718 543 H GLY 72 HN GLY 72 -1.277 2.938 -8.823 544 HA2 GLY 72 HA2 GLY 72 -3.815 2.888 -10.210 545 HA3 GLY 72 HA1 GLY 72 -2.564 1.640 -10.226 546 H LEU 73 HN LEU 73 -2.650 1.490 -7.230 547 HA LEU 73 HA LEU 73 -4.300 -0.738 -7.166 548 HB2 LEU 73 HB2 LEU 73 -2.292 0.324 -5.587 549 HB3 LEU 73 HB3 LEU 73 -3.630 0.491 -4.516 550 HG LEU 73 HG LEU 73 -4.063 -1.948 -4.536 551 HD11 LEU 73 HD11 LEU 73 -3.410 -2.594 -6.866 552 HD12 LEU 73 HD12 LEU 73 -2.423 -3.475 -5.717 553 HD13 LEU 73 HD13 LEU 73 -1.744 -2.074 -6.567 554 HD21 LEU 73 HD21 LEU 73 -2.308 -1.094 -3.018 555 HD22 LEU 73 HD22 LEU 73 -1.111 -0.990 -4.319 556 HD23 LEU 73 HD23 LEU 73 -1.606 -2.555 -3.757 557 H MET 74 HN MET 74 -5.347 2.475 -6.764 558 HA MET 74 HA MET 74 -7.406 2.173 -4.822 559 HB2 MET 74 HB2 MET 74 -6.593 4.306 -5.795 560 HB3 MET 74 HB3 MET 74 -7.369 3.917 -7.332 561 HG2 MET 74 HG2 MET 74 -9.538 4.126 -6.441 562 HG3 MET 74 HG3 MET 74 -8.997 3.910 -4.774 563 HE1 MET 74 HE1 MET 74 -6.733 5.732 -4.140 564 HE2 MET 74 HE2 MET 74 -7.511 7.269 -3.723 565 HE3 MET 74 HE3 MET 74 -8.222 5.735 -3.174 566 H ALA 75 HN ALA 75 -7.412 1.602 -8.367 567 HA ALA 75 HA ALA 75 -10.163 0.792 -8.460 568 HB1 ALA 75 HB1 ALA 75 -7.865 0.304 -10.395 569 HB2 ALA 75 HB2 ALA 75 -9.600 0.125 -10.751 570 HB3 ALA 75 HB3 ALA 75 -8.936 1.722 -10.388 571 H VAL 76 HN VAL 76 -7.058 -1.059 -8.328 572 HA VAL 76 HA VAL 76 -8.204 -3.652 -8.502 573 HB VAL 76 HB VAL 76 -5.707 -2.859 -6.941 574 HG11 VAL 76 HG11 VAL 76 -4.904 -5.137 -7.495 575 HG12 VAL 76 HG12 VAL 76 -6.403 -5.226 -6.569 576 HG13 VAL 76 HG13 VAL 76 -6.438 -5.484 -8.324 577 HG21 VAL 76 HG21 VAL 76 -5.979 -3.460 -9.904 578 HG22 VAL 76 HG22 VAL 76 -5.478 -1.916 -9.187 579 HG23 VAL 76 HG23 VAL 76 -4.439 -3.333 -9.037 580 H ALA 77 HN ALA 77 -7.416 -1.595 -5.666 581 HA ALA 77 HA ALA 77 -7.973 -3.427 -3.687 582 HB1 ALA 77 HB1 ALA 77 -8.231 -1.441 -2.234 583 HB2 ALA 77 HB2 ALA 77 -6.781 -1.461 -3.264 584 HB3 ALA 77 HB3 ALA 77 -8.165 -0.412 -3.677 585 H LYS 78 HN LYS 78 -10.073 -0.956 -5.262 586 HA LYS 78 HA LYS 78 -12.458 -1.535 -3.744 587 HB2 LYS 78 HB2 LYS 78 -11.866 -0.074 -6.364 588 HB3 LYS 78 HB3 LYS 78 -13.514 -0.436 -5.884 589 HG2 LYS 78 HG2 LYS 78 -13.036 0.720 -3.650 590 HG3 LYS 78 HG3 LYS 78 -11.499 1.248 -4.345 591 HD2 LYS 78 HD2 LYS 78 -13.164 3.017 -4.514 592 HD3 LYS 78 HD3 LYS 78 -12.705 2.451 -6.130 593 HE2 LYS 78 HE2 LYS 78 -14.739 1.042 -6.232 594 HE3 LYS 78 HE3 LYS 78 -15.198 1.541 -4.598 595 HZ1 LYS 78 HZ1 LYS 78 -15.594 3.711 -5.398 596 HZ2 LYS 78 HZ2 LYS 78 -16.287 2.706 -6.489 597 HZ3 LYS 78 HZ3 LYS 78 -14.847 3.443 -6.833 598 H ALA 79 HN ALA 79 -11.114 -3.027 -6.677 599 HA ALA 79 HA ALA 79 -13.477 -4.516 -7.324 600 HB1 ALA 79 HB1 ALA 79 -10.598 -5.453 -7.685 601 HB2 ALA 79 HB2 ALA 79 -12.042 -5.968 -8.559 602 HB3 ALA 79 HB3 ALA 79 -11.403 -4.321 -8.791 603 H GLN 80 HN GLN 80 -10.596 -5.251 -5.274 604 HA GLN 80 HA GLN 80 -11.443 -7.760 -4.426 605 HB2 GLN 80 HB2 GLN 80 -9.681 -5.729 -3.003 606 HB3 GLN 80 HB3 GLN 80 -9.984 -7.357 -2.396 607 HG2 GLN 80 HG2 GLN 80 -9.270 -8.245 -4.663 608 HG3 GLN 80 HG3 GLN 80 -8.703 -6.616 -5.052 609 HE21 GLN 80 HE21 GLN 80 -7.070 -8.889 -5.041 610 HE22 GLN 80 HE22 GLN 80 -5.848 -8.666 -3.823 611 H LEU 81 HN LEU 81 -12.454 -4.643 -2.972 612 HA LEU 81 HA LEU 81 -13.686 -5.970 -0.675 613 HB2 LEU 81 HB2 LEU 81 -14.042 -3.193 -1.975 614 HB3 LEU 81 HB3 LEU 81 -14.847 -3.647 -0.489 615 HG LEU 81 HG LEU 81 -11.837 -3.611 -0.733 616 HD11 LEU 81 HD11 LEU 81 -12.705 -1.375 -1.224 617 HD12 LEU 81 HD12 LEU 81 -11.918 -1.428 0.358 618 HD13 LEU 81 HD13 LEU 81 -13.697 -1.419 0.256 619 HD21 LEU 81 HD21 LEU 81 -11.961 -3.349 1.767 620 HD22 LEU 81 HD22 LEU 81 -12.616 -4.885 1.187 621 HD23 LEU 81 HD23 LEU 81 -13.708 -3.578 1.676 622 H MET 82 HN MET 82 -14.731 -5.272 -3.996 623 HA MET 82 HA MET 82 -17.561 -5.824 -3.337 624 HB2 MET 82 HB2 MET 82 -16.106 -5.694 -6.007 625 HB3 MET 82 HB3 MET 82 -17.851 -5.852 -5.802 626 HG2 MET 82 HG2 MET 82 -16.343 -3.504 -4.599 627 HG3 MET 82 HG3 MET 82 -16.772 -3.550 -6.286 628 HE1 MET 82 HE1 MET 82 -17.755 -2.369 -2.887 629 HE2 MET 82 HE2 MET 82 -19.511 -2.593 -2.743 630 HE3 MET 82 HE3 MET 82 -18.430 -3.994 -2.640 631 H ASP 83 HN ASP 83 -14.810 -7.391 -4.839 632 HA ASP 83 HA ASP 83 -15.996 -9.878 -5.553 633 HB2 ASP 83 HB2 ASP 83 -14.097 -8.773 -6.664 634 HB3 ASP 83 HB3 ASP 83 -13.140 -8.895 -5.186 635 H GLU 84 HN GLU 84 -14.536 -8.710 -2.544 636 HA GLU 84 HA GLU 84 -14.161 -11.288 -1.368 637 HB2 GLU 84 HB2 GLU 84 -13.785 -10.142 0.682 638 HB3 GLU 84 HB3 GLU 84 -13.091 -9.164 -0.546 639 HG2 GLU 84 HG2 GLU 84 -14.864 -7.603 -0.356 640 HG3 GLU 84 HG3 GLU 84 -15.918 -8.744 0.445 641 H LEU 85 HN LEU 85 -17.019 -9.493 -1.956 642 HA LEU 85 HA LEU 85 -18.431 -10.053 0.408 643 HB2 LEU 85 HB2 LEU 85 -19.173 -8.327 -1.217 644 HB3 LEU 85 HB3 LEU 85 -19.622 -9.587 -2.373 645 HG LEU 85 HG LEU 85 -21.319 -10.486 -0.777 646 HD11 LEU 85 HD11 LEU 85 -20.287 -8.233 0.981 647 HD12 LEU 85 HD12 LEU 85 -20.529 -9.944 1.374 648 HD13 LEU 85 HD13 LEU 85 -21.922 -8.879 1.177 649 HD21 LEU 85 HD21 LEU 85 -22.937 -8.692 -1.018 650 HD22 LEU 85 HD22 LEU 85 -21.950 -8.861 -2.469 651 HD23 LEU 85 HD23 LEU 85 -21.640 -7.523 -1.337 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -20.900 8.403 1.236 2 HA2 GLY 1 HA2 GLY 1 -18.444 8.213 1.647 3 HA3 GLY 1 HA1 GLY 1 -19.453 7.508 2.915 4 H MET 2 HN MET 2 -16.829 6.924 0.945 5 HA MET 2 HA MET 2 -16.853 4.017 1.478 6 HB2 MET 2 HB2 MET 2 -16.183 3.609 -0.934 7 HB3 MET 2 HB3 MET 2 -17.868 4.017 -0.662 8 HG2 MET 2 HG2 MET 2 -17.526 6.302 -1.412 9 HG3 MET 2 HG3 MET 2 -15.798 6.031 -1.565 10 HE1 MET 2 HE1 MET 2 -17.003 6.571 -5.243 11 HE2 MET 2 HE2 MET 2 -17.671 7.340 -3.788 12 HE3 MET 2 HE3 MET 2 -15.911 7.117 -3.947 13 H GLN 3 HN GLN 3 -15.334 6.785 2.024 14 HA GLN 3 HA GLN 3 -12.931 6.670 0.546 15 HB2 GLN 3 HB2 GLN 3 -14.349 8.547 2.080 16 HB3 GLN 3 HB3 GLN 3 -12.861 8.344 2.971 17 HG2 GLN 3 HG2 GLN 3 -12.428 10.084 1.434 18 HG3 GLN 3 HG3 GLN 3 -11.616 8.677 0.758 19 HE21 GLN 3 HE21 GLN 3 -11.866 8.688 -1.416 20 HE22 GLN 3 HE22 GLN 3 -13.242 9.197 -2.347 21 H PHE 4 HN PHE 4 -13.519 4.529 2.805 22 HA PHE 4 HA PHE 4 -10.836 4.641 4.148 23 HB2 PHE 4 HB2 PHE 4 -13.558 4.654 5.169 24 HB3 PHE 4 HB3 PHE 4 -12.681 3.246 5.722 25 HD1 PHE 4 HD2 PHE 4 -11.405 6.774 5.122 26 HD2 PHE 4 HD1 PHE 4 -12.268 3.617 7.954 27 HE1 PHE 4 HE2 PHE 4 -10.371 8.093 6.905 28 HE2 PHE 4 HE1 PHE 4 -11.225 4.967 9.745 29 HZ PHE 4 HZ PHE 4 -10.285 7.228 9.242 30 H LYS 5 HN LYS 5 -13.673 2.554 3.471 31 HA LYS 5 HA LYS 5 -12.265 0.098 3.438 32 HB2 LYS 5 HB2 LYS 5 -14.845 1.081 2.190 33 HB3 LYS 5 HB3 LYS 5 -14.275 -0.554 1.832 34 HG2 LYS 5 HG2 LYS 5 -14.334 -1.255 4.069 35 HG3 LYS 5 HG3 LYS 5 -14.444 0.375 4.717 36 HD2 LYS 5 HD2 LYS 5 -16.668 -0.940 3.093 37 HD3 LYS 5 HD3 LYS 5 -16.568 -0.915 4.869 38 HE2 LYS 5 HE2 LYS 5 -16.368 1.591 4.750 39 HE3 LYS 5 HE3 LYS 5 -16.728 1.487 3.026 40 HZ1 LYS 5 HZ1 LYS 5 -18.899 0.730 3.502 41 HZ2 LYS 5 HZ2 LYS 5 -18.606 1.990 4.470 42 HZ3 LYS 5 HZ3 LYS 5 -18.570 0.497 5.126 43 H ALA 6 HN ALA 6 -12.392 2.651 0.980 44 HA ALA 6 HA ALA 6 -11.231 0.934 -1.078 45 HB1 ALA 6 HB1 ALA 6 -11.055 3.036 -2.363 46 HB2 ALA 6 HB2 ALA 6 -12.710 2.793 -1.753 47 HB3 ALA 6 HB3 ALA 6 -11.626 3.960 -0.945 48 H GLU 7 HN GLU 7 -10.194 3.685 1.026 49 HA GLU 7 HA GLU 7 -7.656 3.980 0.175 50 HB2 GLU 7 HB2 GLU 7 -9.411 5.331 1.411 51 HB3 GLU 7 HB3 GLU 7 -9.095 4.399 2.876 52 HG2 GLU 7 HG2 GLU 7 -6.685 5.090 2.562 53 HG3 GLU 7 HG3 GLU 7 -7.300 6.126 1.228 54 H ALA 8 HN ALA 8 -8.661 2.503 3.318 55 HA ALA 8 HA ALA 8 -6.119 1.482 3.878 56 HB1 ALA 8 HB1 ALA 8 -7.816 1.912 5.568 57 HB2 ALA 8 HB2 ALA 8 -8.831 0.592 4.920 58 HB3 ALA 8 HB3 ALA 8 -7.250 0.235 5.673 59 H ARG 9 HN ARG 9 -8.517 0.042 1.623 60 HA ARG 9 HA ARG 9 -7.173 -2.604 1.929 61 HB2 ARG 9 HB2 ARG 9 -9.622 -2.483 1.465 62 HB3 ARG 9 HB3 ARG 9 -9.231 -1.694 -0.058 63 HG2 ARG 9 HG2 ARG 9 -9.679 -4.000 -0.543 64 HG3 ARG 9 HG3 ARG 9 -7.968 -3.747 -0.768 65 HD2 ARG 9 HD2 ARG 9 -8.207 -5.829 0.296 66 HD3 ARG 9 HD3 ARG 9 -7.588 -4.758 1.544 67 HE ARG 9 HE ARG 9 -10.018 -4.548 2.317 68 HH11 ARG 9 HH11 ARG 9 -8.645 -7.618 1.058 69 HH12 ARG 9 HH12 ARG 9 -9.980 -8.551 1.629 70 HH21 ARG 9 HH21 ARG 9 -11.846 -5.870 2.969 71 HH22 ARG 9 HH22 ARG 9 -11.680 -7.591 2.768 72 H ARG 10 HN ARG 10 -7.201 0.218 -0.338 73 HA ARG 10 HA ARG 10 -5.284 -0.801 -2.227 74 HB2 ARG 10 HB2 ARG 10 -6.655 1.276 -2.513 75 HB3 ARG 10 HB3 ARG 10 -5.768 2.053 -1.213 76 HG2 ARG 10 HG2 ARG 10 -3.882 1.035 -3.159 77 HG3 ARG 10 HG3 ARG 10 -5.114 1.955 -4.004 78 HD2 ARG 10 HD2 ARG 10 -3.632 3.035 -1.589 79 HD3 ARG 10 HD3 ARG 10 -3.007 3.152 -3.218 80 HE ARG 10 HE ARG 10 -4.718 4.610 -3.885 81 HH11 ARG 10 HH11 ARG 10 -4.517 4.297 -0.312 82 HH12 ARG 10 HH12 ARG 10 -4.912 5.909 -0.033 83 HH21 ARG 10 HH21 ARG 10 -4.910 6.750 -3.514 84 HH22 ARG 10 HH22 ARG 10 -4.934 7.396 -1.910 85 H ASN 11 HN ASN 11 -4.882 1.061 0.780 86 HA ASN 11 HA ASN 11 -2.118 1.112 0.782 87 HB2 ASN 11 HB2 ASN 11 -3.977 1.199 3.203 88 HB3 ASN 11 HB3 ASN 11 -2.303 1.774 3.124 89 HD21 ASN 11 HD21 ASN 11 -3.865 3.912 3.899 90 HD22 ASN 11 HD22 ASN 11 -4.295 4.858 2.533 91 H LYS 12 HN LYS 12 -4.234 -1.213 2.601 92 HA LYS 12 HA LYS 12 -2.176 -2.822 3.630 93 HB2 LYS 12 HB2 LYS 12 -4.559 -2.982 4.280 94 HB3 LYS 12 HB3 LYS 12 -4.944 -3.690 2.695 95 HG2 LYS 12 HG2 LYS 12 -3.440 -5.596 3.188 96 HG3 LYS 12 HG3 LYS 12 -3.027 -4.864 4.751 97 HD2 LYS 12 HD2 LYS 12 -5.261 -5.158 5.586 98 HD3 LYS 12 HD3 LYS 12 -5.854 -5.673 3.986 99 HE2 LYS 12 HE2 LYS 12 -4.259 -7.589 4.037 100 HE3 LYS 12 HE3 LYS 12 -3.724 -7.091 5.648 101 HZ1 LYS 12 HZ1 LYS 12 -5.297 -8.813 5.813 102 HZ2 LYS 12 HZ2 LYS 12 -6.448 -8.050 4.954 103 HZ3 LYS 12 HZ3 LYS 12 -5.945 -7.478 6.454 104 H LEU 13 HN LEU 13 -3.900 -3.220 0.466 105 HA LEU 13 HA LEU 13 -2.463 -5.483 -0.392 106 HB2 LEU 13 HB2 LEU 13 -3.721 -3.214 -1.961 107 HB3 LEU 13 HB3 LEU 13 -2.956 -4.616 -2.716 108 HG LEU 13 HG LEU 13 -5.346 -4.856 -0.898 109 HD11 LEU 13 HD11 LEU 13 -5.068 -4.937 -3.951 110 HD12 LEU 13 HD12 LEU 13 -5.796 -3.619 -3.009 111 HD13 LEU 13 HD13 LEU 13 -6.548 -5.222 -3.025 112 HD21 LEU 13 HD21 LEU 13 -3.864 -6.841 -2.689 113 HD22 LEU 13 HD22 LEU 13 -5.390 -7.150 -1.844 114 HD23 LEU 13 HD23 LEU 13 -3.942 -6.888 -0.910 115 H MET 14 HN MET 14 -1.502 -1.944 -0.762 116 HA MET 14 HA MET 14 0.686 -2.498 -2.405 117 HB2 MET 14 HB2 MET 14 -0.265 -0.200 -1.667 118 HB3 MET 14 HB3 MET 14 0.754 -0.386 -0.216 119 HG2 MET 14 HG2 MET 14 2.675 -0.919 -1.858 120 HG3 MET 14 HG3 MET 14 1.613 -0.345 -3.138 121 HE1 MET 14 HE1 MET 14 3.403 1.047 -4.005 122 HE2 MET 14 HE2 MET 14 4.221 2.386 -3.182 123 HE3 MET 14 HE3 MET 14 4.608 0.704 -2.738 124 H GLY 15 HN GLY 15 0.374 -2.664 1.154 125 HA2 GLY 15 HA2 GLY 15 3.082 -3.117 1.772 126 HA3 GLY 15 HA1 GLY 15 1.714 -3.650 2.742 127 H LEU 16 HN LEU 16 0.531 -5.566 0.764 128 HA LEU 16 HA LEU 16 2.231 -7.798 1.299 129 HB2 LEU 16 HB2 LEU 16 -0.164 -7.413 -0.548 130 HB3 LEU 16 HB3 LEU 16 0.740 -8.898 -0.464 131 HG LEU 16 HG LEU 16 -1.103 -9.288 0.824 132 HD11 LEU 16 HD11 LEU 16 1.024 -10.048 1.894 133 HD12 LEU 16 HD12 LEU 16 -0.312 -9.814 3.033 134 HD13 LEU 16 HD13 LEU 16 0.975 -8.604 2.932 135 HD21 LEU 16 HD21 LEU 16 -1.972 -7.072 1.153 136 HD22 LEU 16 HD22 LEU 16 -0.668 -6.685 2.294 137 HD23 LEU 16 HD23 LEU 16 -1.887 -7.903 2.709 138 H TRP 17 HN TRP 17 1.870 -5.729 -1.575 139 HA TRP 17 HA TRP 17 3.644 -7.335 -3.226 140 HB2 TRP 17 HB2 TRP 17 2.061 -5.731 -4.223 141 HB3 TRP 17 HB3 TRP 17 2.899 -4.386 -3.448 142 HD1 TRP 17 HD1 TRP 17 3.641 -7.188 -6.014 143 HE1 TRP 17 HE1 TRP 17 5.488 -6.477 -7.587 144 HE3 TRP 17 HE3 TRP 17 4.566 -2.560 -4.070 145 HZ2 TRP 17 HZ2 TRP 17 7.158 -4.138 -8.008 146 HZ3 TRP 17 HZ3 TRP 17 6.214 -1.068 -5.150 147 HH2 TRP 17 HH2 TRP 17 7.523 -1.841 -7.136 148 H VAL 18 HN VAL 18 4.196 -4.292 -1.335 149 HA VAL 18 HA VAL 18 6.971 -4.178 -1.945 150 HB VAL 18 HB VAL 18 5.428 -3.055 0.413 151 HG11 VAL 18 HG11 VAL 18 7.817 -3.063 0.993 152 HG12 VAL 18 HG12 VAL 18 8.230 -2.368 -0.590 153 HG13 VAL 18 HG13 VAL 18 7.322 -1.415 0.605 154 HG21 VAL 18 HG21 VAL 18 6.344 -1.727 -2.174 155 HG22 VAL 18 HG22 VAL 18 4.672 -2.187 -1.793 156 HG23 VAL 18 HG23 VAL 18 5.476 -0.941 -0.838 157 H ALA 19 HN ALA 19 5.276 -5.785 0.822 158 HA ALA 19 HA ALA 19 7.537 -6.598 2.234 159 HB1 ALA 19 HB1 ALA 19 6.106 -8.248 3.235 160 HB2 ALA 19 HB2 ALA 19 5.213 -6.742 3.046 161 HB3 ALA 19 HB3 ALA 19 4.913 -8.096 1.924 162 H GLU 20 HN GLU 20 5.899 -8.284 -0.550 163 HA GLU 20 HA GLU 20 7.637 -10.563 -0.470 164 HB2 GLU 20 HB2 GLU 20 5.603 -10.792 -1.598 165 HB3 GLU 20 HB3 GLU 20 5.837 -9.342 -2.581 166 HG2 GLU 20 HG2 GLU 20 7.547 -10.351 -3.895 167 HG3 GLU 20 HG3 GLU 20 7.668 -11.755 -2.807 168 H VAL 21 HN VAL 21 7.893 -7.382 -2.136 169 HA VAL 21 HA VAL 21 10.323 -8.071 -3.545 170 HB VAL 21 HB VAL 21 9.140 -5.369 -2.752 171 HG11 VAL 21 HG11 VAL 21 11.523 -5.080 -3.232 172 HG12 VAL 21 HG12 VAL 21 11.361 -5.989 -4.749 173 HG13 VAL 21 HG13 VAL 21 10.542 -4.418 -4.532 174 HG21 VAL 21 HG21 VAL 21 8.404 -5.292 -5.139 175 HG22 VAL 21 HG22 VAL 21 9.046 -6.928 -5.378 176 HG23 VAL 21 HG23 VAL 21 7.679 -6.655 -4.295 177 H LEU 22 HN LEU 22 9.657 -6.903 -0.255 178 HA LEU 22 HA LEU 22 12.447 -6.611 0.538 179 HB2 LEU 22 HB2 LEU 22 9.735 -6.515 1.834 180 HB3 LEU 22 HB3 LEU 22 11.085 -6.909 2.871 181 HG LEU 22 HG LEU 22 12.190 -4.847 2.450 182 HD11 LEU 22 HD11 LEU 22 9.958 -4.156 0.494 183 HD12 LEU 22 HD12 LEU 22 11.668 -4.428 0.096 184 HD13 LEU 22 HD13 LEU 22 11.202 -3.045 1.092 185 HD21 LEU 22 HD21 LEU 22 10.495 -3.294 3.381 186 HD22 LEU 22 HD22 LEU 22 10.393 -4.880 4.142 187 HD23 LEU 22 HD23 LEU 22 9.196 -4.414 2.913 188 H GLY 23 HN GLY 23 10.768 -9.394 -0.347 189 HA2 GLY 23 HA2 GLY 23 11.201 -11.610 -0.046 190 HA3 GLY 23 HA1 GLY 23 12.700 -11.178 0.797 191 H LYS 24 HN LYS 24 9.446 -10.111 1.789 192 HA LYS 24 HA LYS 24 9.683 -11.640 4.344 193 HB2 LYS 24 HB2 LYS 24 7.900 -9.368 3.422 194 HB3 LYS 24 HB3 LYS 24 7.663 -10.205 4.944 195 HG2 LYS 24 HG2 LYS 24 9.801 -9.468 5.783 196 HG3 LYS 24 HG3 LYS 24 10.272 -8.785 4.218 197 HD2 LYS 24 HD2 LYS 24 8.561 -7.088 4.346 198 HD3 LYS 24 HD3 LYS 24 7.859 -7.782 5.793 199 HE2 LYS 24 HE2 LYS 24 10.753 -6.800 5.658 200 HE3 LYS 24 HE3 LYS 24 9.414 -5.763 6.147 201 HZ1 LYS 24 HZ1 LYS 24 8.964 -7.298 7.968 202 HZ2 LYS 24 HZ2 LYS 24 10.499 -6.718 8.064 203 HZ3 LYS 24 HZ3 LYS 24 10.212 -8.250 7.575 204 H SER 25 HN SER 25 7.743 -12.866 4.995 205 HA SER 25 HA SER 25 5.744 -13.451 2.925 206 HB2 SER 25 HB2 SER 25 7.873 -15.449 3.799 207 HB3 SER 25 HB3 SER 25 6.302 -15.970 3.176 208 HG SER 25 HG SER 25 8.218 -14.370 1.790 209 H GLY 26 HN GLY 26 4.302 -15.305 3.838 210 HA2 GLY 26 HA2 GLY 26 2.764 -15.987 5.334 211 HA3 GLY 26 HA1 GLY 26 4.126 -16.151 6.451 212 H ASP 27 HN ASP 27 4.137 -14.956 8.212 213 HA ASP 27 HA ASP 27 1.930 -13.059 8.625 214 HB2 ASP 27 HB2 ASP 27 3.632 -14.754 10.356 215 HB3 ASP 27 HB3 ASP 27 3.338 -13.146 11.002 216 H GLU 28 HN GLU 28 5.420 -12.908 7.968 217 HA GLU 28 HA GLU 28 5.880 -10.400 9.258 218 HB2 GLU 28 HB2 GLU 28 7.303 -12.207 7.321 219 HB3 GLU 28 HB3 GLU 28 7.582 -10.500 7.108 220 HG2 GLU 28 HG2 GLU 28 7.982 -10.622 9.748 221 HG3 GLU 28 HG3 GLU 28 8.456 -12.271 9.337 222 H ALA 29 HN ALA 29 4.959 -11.484 5.976 223 HA ALA 29 HA ALA 29 4.779 -8.870 4.826 224 HB1 ALA 29 HB1 ALA 29 3.456 -9.981 3.049 225 HB2 ALA 29 HB2 ALA 29 4.903 -10.924 3.460 226 HB3 ALA 29 HB3 ALA 29 3.307 -11.433 4.063 227 H ASN 30 HN ASN 30 2.568 -10.645 6.853 228 HA ASN 30 HA ASN 30 0.226 -8.986 6.208 229 HB2 ASN 30 HB2 ASN 30 0.745 -11.296 8.072 230 HB3 ASN 30 HB3 ASN 30 -0.511 -10.156 8.520 231 HD21 ASN 30 HD21 ASN 30 -0.230 -13.090 6.961 232 HD22 ASN 30 HD22 ASN 30 -1.616 -12.911 5.920 233 H ALA 31 HN ALA 31 2.680 -9.224 8.823 234 HA ALA 31 HA ALA 31 1.669 -7.055 10.386 235 HB1 ALA 31 HB1 ALA 31 4.507 -8.137 10.120 236 HB2 ALA 31 HB2 ALA 31 3.916 -7.068 11.403 237 HB3 ALA 31 HB3 ALA 31 3.275 -8.719 11.261 238 H TYR 32 HN TYR 32 3.976 -7.240 7.684 239 HA TYR 32 HA TYR 32 4.756 -4.500 7.656 240 HB2 TYR 32 HB2 TYR 32 5.834 -6.391 6.387 241 HB3 TYR 32 HB3 TYR 32 4.471 -6.380 5.275 242 HD1 TYR 32 HD1 TYR 32 4.164 -4.476 3.718 243 HD2 TYR 32 HD2 TYR 32 7.461 -4.561 6.488 244 HE1 TYR 32 HE1 TYR 32 5.213 -2.537 2.554 245 HE2 TYR 32 HE2 TYR 32 8.491 -2.641 5.335 246 HH TYR 32 HH TYR 32 7.942 -0.831 4.029 247 H ALA 33 HN ALA 33 2.055 -6.229 6.059 248 HA ALA 33 HA ALA 33 0.969 -3.950 4.780 249 HB1 ALA 33 HB1 ALA 33 -0.909 -5.385 4.308 250 HB2 ALA 33 HB2 ALA 33 0.559 -6.361 4.206 251 HB3 ALA 33 HB3 ALA 33 -0.491 -6.486 5.638 252 H ALA 34 HN ALA 34 1.201 -4.234 8.099 253 HA ALA 34 HA ALA 34 -1.358 -2.796 8.601 254 HB1 ALA 34 HB1 ALA 34 -0.828 -4.723 10.090 255 HB2 ALA 34 HB2 ALA 34 0.638 -3.871 10.616 256 HB3 ALA 34 HB3 ALA 34 -0.954 -3.164 10.938 257 H GLU 35 HN GLU 35 2.234 -2.475 9.130 258 HA GLU 35 HA GLU 35 2.083 0.170 10.127 259 HB2 GLU 35 HB2 GLU 35 4.459 0.404 9.324 260 HB3 GLU 35 HB3 GLU 35 4.132 -0.894 10.453 261 HG2 GLU 35 HG2 GLU 35 4.096 -2.519 8.610 262 HG3 GLU 35 HG3 GLU 35 4.474 -1.224 7.448 263 H VAL 36 HN VAL 36 2.386 -1.003 6.763 264 HA VAL 36 HA VAL 36 2.732 1.439 5.470 265 HB VAL 36 HB VAL 36 1.406 -1.172 4.671 266 HG11 VAL 36 HG11 VAL 36 2.121 1.097 2.779 267 HG12 VAL 36 HG12 VAL 36 1.660 -0.545 2.297 268 HG13 VAL 36 HG13 VAL 36 0.488 0.485 3.112 269 HG21 VAL 36 HG21 VAL 36 3.483 -1.530 3.452 270 HG22 VAL 36 HG22 VAL 36 4.102 0.057 3.941 271 HG23 VAL 36 HG23 VAL 36 3.861 -1.222 5.147 272 H VAL 37 HN VAL 37 -0.222 0.143 6.873 273 HA VAL 37 HA VAL 37 -2.036 1.764 5.282 274 HB VAL 37 HB VAL 37 -2.348 0.067 7.796 275 HG11 VAL 37 HG11 VAL 37 -4.807 0.165 7.447 276 HG12 VAL 37 HG12 VAL 37 -4.132 1.721 7.936 277 HG13 VAL 37 HG13 VAL 37 -4.567 1.454 6.240 278 HG21 VAL 37 HG21 VAL 37 -1.807 -1.015 5.561 279 HG22 VAL 37 HG22 VAL 37 -3.239 -1.579 6.380 280 HG23 VAL 37 HG23 VAL 37 -3.397 -0.453 5.005 281 H LYS 38 HN LYS 38 -0.262 2.187 8.275 282 HA LYS 38 HA LYS 38 -2.197 3.818 9.455 283 HB2 LYS 38 HB2 LYS 38 -0.228 2.097 10.255 284 HB3 LYS 38 HB3 LYS 38 0.615 3.616 10.486 285 HG2 LYS 38 HG2 LYS 38 -1.607 4.335 11.767 286 HG3 LYS 38 HG3 LYS 38 -1.999 2.616 11.612 287 HD2 LYS 38 HD2 LYS 38 -1.038 3.176 13.833 288 HD3 LYS 38 HD3 LYS 38 0.022 2.058 12.932 289 HE2 LYS 38 HE2 LYS 38 1.460 3.939 12.247 290 HE3 LYS 38 HE3 LYS 38 0.335 5.101 12.942 291 HZ1 LYS 38 HZ1 LYS 38 1.828 3.094 14.493 292 HZ2 LYS 38 HZ2 LYS 38 0.952 4.394 15.098 293 HZ3 LYS 38 HZ3 LYS 38 2.330 4.630 14.221 294 H ALA 39 HN ALA 39 -0.619 5.202 7.031 295 HA ALA 39 HA ALA 39 0.381 7.488 8.644 296 HB1 ALA 39 HB1 ALA 39 1.598 6.358 6.090 297 HB2 ALA 39 HB2 ALA 39 2.232 7.712 7.051 298 HB3 ALA 39 HB3 ALA 39 2.202 6.083 7.744 299 H ASP 40 HN ASP 40 -2.183 7.002 6.758 300 HA ASP 40 HA ASP 40 -1.922 9.447 5.095 301 HB2 ASP 40 HB2 ASP 40 -4.019 8.886 4.094 302 HB3 ASP 40 HB3 ASP 40 -2.904 7.529 4.002 303 H PHE 41 HN PHE 41 -2.446 9.061 8.296 304 HA PHE 41 HA PHE 41 -4.839 10.708 8.556 305 HB2 PHE 41 HB2 PHE 41 -2.757 10.124 10.687 306 HB3 PHE 41 HB3 PHE 41 -4.377 10.744 10.948 307 HD1 PHE 41 HD1 PHE 41 -6.400 9.217 10.417 308 HD2 PHE 41 HD2 PHE 41 -2.320 7.787 10.468 309 HE1 PHE 41 HE1 PHE 41 -7.207 6.868 10.612 310 HE2 PHE 41 HE2 PHE 41 -3.128 5.480 10.599 311 HZ PHE 41 HZ PHE 41 -5.584 4.999 10.715 312 H GLU 42 HN GLU 42 -1.321 11.328 8.906 313 HA GLU 42 HA GLU 42 -1.823 14.109 9.691 314 HB2 GLU 42 HB2 GLU 42 0.762 12.595 9.096 315 HB3 GLU 42 HB3 GLU 42 0.662 14.225 9.755 316 HG2 GLU 42 HG2 GLU 42 -0.825 12.130 11.291 317 HG3 GLU 42 HG3 GLU 42 0.923 11.925 11.201 318 H GLU 43 HN GLU 43 0.206 12.640 7.175 319 HA GLU 43 HA GLU 43 0.350 15.131 5.696 320 HB2 GLU 43 HB2 GLU 43 1.710 12.487 5.719 321 HB3 GLU 43 HB3 GLU 43 1.473 13.143 4.114 322 HG2 GLU 43 HG2 GLU 43 3.558 13.948 4.688 323 HG3 GLU 43 HG3 GLU 43 2.510 15.330 4.940 324 H ALA 44 HN ALA 44 -0.700 15.659 3.836 325 HA ALA 44 HA ALA 44 -3.371 14.727 3.662 326 HB1 ALA 44 HB1 ALA 44 -2.701 17.058 3.319 327 HB2 ALA 44 HB2 ALA 44 -1.822 16.600 1.848 328 HB3 ALA 44 HB3 ALA 44 -3.586 16.417 1.928 329 H GLY 45 HN GLY 45 -3.840 12.740 2.817 330 HA2 GLY 45 HA2 GLY 45 -4.308 11.308 1.069 331 HA3 GLY 45 HA1 GLY 45 -3.334 12.301 -0.029 332 H HIS 46 HN HIS 46 -1.003 12.045 0.033 333 HA HIS 46 HA HIS 46 -0.195 9.315 0.945 334 HB2 HIS 46 HB2 HIS 46 0.695 8.850 -1.301 335 HB3 HIS 46 HB3 HIS 46 -1.038 9.060 -1.270 336 HD1 HIS 46 HD1 HIS 46 1.402 12.085 -1.691 337 HD2 HIS 46 HD2 HIS 46 -1.317 9.641 -3.790 338 HE1 HIS 46 HE1 HIS 46 1.021 13.195 -3.909 339 H GLU 47 HN GLU 47 0.710 12.412 1.385 340 HA GLU 47 HA GLU 47 3.266 12.432 0.173 341 HB2 GLU 47 HB2 GLU 47 1.965 14.190 2.264 342 HB3 GLU 47 HB3 GLU 47 3.661 14.401 1.827 343 HG2 GLU 47 HG2 GLU 47 2.830 14.397 -0.634 344 HG3 GLU 47 HG3 GLU 47 1.218 14.669 0.036 345 H ASP 48 HN ASP 48 2.401 11.206 3.396 346 HA ASP 48 HA ASP 48 5.298 10.727 3.933 347 HB2 ASP 48 HB2 ASP 48 3.907 11.713 5.723 348 HB3 ASP 48 HB3 ASP 48 2.909 10.240 5.732 349 H VAL 49 HN VAL 49 2.324 9.147 2.990 350 HA VAL 49 HA VAL 49 2.968 6.446 3.503 351 HB VAL 49 HB VAL 49 1.269 7.751 1.355 352 HG11 VAL 49 HG11 VAL 49 1.865 5.631 0.390 353 HG12 VAL 49 HG12 VAL 49 1.601 4.787 1.932 354 HG13 VAL 49 HG13 VAL 49 0.239 5.487 1.047 355 HG21 VAL 49 HG21 VAL 49 -0.607 6.974 2.746 356 HG22 VAL 49 HG22 VAL 49 0.521 6.209 3.883 357 HG23 VAL 49 HG23 VAL 49 0.474 7.970 3.716 358 H MET 50 HN MET 50 3.652 8.388 0.491 359 HA MET 50 HA MET 50 4.979 6.188 -0.736 360 HB2 MET 50 HB2 MET 50 5.561 9.135 -1.290 361 HB3 MET 50 HB3 MET 50 5.896 7.762 -2.351 362 HG2 MET 50 HG2 MET 50 3.276 9.060 -1.735 363 HG3 MET 50 HG3 MET 50 4.023 8.698 -3.274 364 HE1 MET 50 HE1 MET 50 3.340 4.830 -3.619 365 HE2 MET 50 HE2 MET 50 4.232 6.239 -4.258 366 HE3 MET 50 HE3 MET 50 4.744 5.470 -2.739 367 H ARG 51 HN ARG 51 6.266 8.887 1.174 368 HA ARG 51 HA ARG 51 8.999 8.292 1.157 369 HB2 ARG 51 HB2 ARG 51 7.099 9.736 2.948 370 HB3 ARG 51 HB3 ARG 51 8.546 9.153 3.748 371 HG2 ARG 51 HG2 ARG 51 8.552 10.885 1.246 372 HG3 ARG 51 HG3 ARG 51 8.762 11.428 2.926 373 HD2 ARG 51 HD2 ARG 51 10.728 9.813 3.094 374 HD3 ARG 51 HD3 ARG 51 10.638 9.642 1.355 375 HE ARG 51 HE ARG 51 10.896 12.092 1.174 376 HH11 ARG 51 HH11 ARG 51 11.990 10.590 4.206 377 HH12 ARG 51 HH12 ARG 51 13.215 11.768 4.515 378 HH21 ARG 51 HH21 ARG 51 12.441 13.736 1.690 379 HH22 ARG 51 HH22 ARG 51 13.696 13.379 2.830 380 H LYS 52 HN LYS 52 6.427 6.688 3.021 381 HA LYS 52 HA LYS 52 8.174 5.323 4.792 382 HB2 LYS 52 HB2 LYS 52 5.693 5.748 5.041 383 HB3 LYS 52 HB3 LYS 52 5.391 4.469 3.878 384 HG2 LYS 52 HG2 LYS 52 7.037 3.990 6.385 385 HG3 LYS 52 HG3 LYS 52 5.272 4.001 6.432 386 HD2 LYS 52 HD2 LYS 52 5.151 2.193 4.774 387 HD3 LYS 52 HD3 LYS 52 6.914 2.106 4.684 388 HE2 LYS 52 HE2 LYS 52 5.324 1.748 7.259 389 HE3 LYS 52 HE3 LYS 52 5.842 0.410 6.208 390 HZ1 LYS 52 HZ1 LYS 52 8.079 1.027 6.540 391 HZ2 LYS 52 HZ2 LYS 52 7.379 0.706 7.945 392 HZ3 LYS 52 HZ3 LYS 52 7.724 2.298 7.534 393 H VAL 53 HN VAL 53 6.568 4.186 1.746 394 HA VAL 53 HA VAL 53 7.915 1.635 1.873 395 HB VAL 53 HB VAL 53 7.013 1.377 -0.442 396 HG11 VAL 53 HG11 VAL 53 5.736 0.688 1.561 397 HG12 VAL 53 HG12 VAL 53 4.981 2.297 1.640 398 HG13 VAL 53 HG13 VAL 53 4.664 1.233 0.257 399 HG21 VAL 53 HG21 VAL 53 7.011 3.827 -1.098 400 HG22 VAL 53 HG22 VAL 53 5.493 2.984 -1.411 401 HG23 VAL 53 HG23 VAL 53 5.634 4.058 -0.016 402 H LEU 54 HN LEU 54 8.568 4.750 0.224 403 HA LEU 54 HA LEU 54 10.700 3.728 -1.364 404 HB2 LEU 54 HB2 LEU 54 9.746 6.485 -0.566 405 HB3 LEU 54 HB3 LEU 54 11.341 6.307 -1.231 406 HG LEU 54 HG LEU 54 9.902 6.942 -2.949 407 HD11 LEU 54 HD11 LEU 54 11.721 5.445 -3.573 408 HD12 LEU 54 HD12 LEU 54 10.337 5.273 -4.647 409 HD13 LEU 54 HD13 LEU 54 10.620 4.054 -3.413 410 HD21 LEU 54 HD21 LEU 54 8.261 4.438 -2.697 411 HD22 LEU 54 HD22 LEU 54 8.099 5.714 -3.916 412 HD23 LEU 54 HD23 LEU 54 7.728 6.094 -2.236 413 H GLY 55 HN GLY 55 10.608 4.970 1.973 414 HA2 GLY 55 HA2 GLY 55 13.479 5.033 2.335 415 HA3 GLY 55 HA1 GLY 55 12.230 5.005 3.600 416 H ASP 56 HN ASP 56 10.865 2.737 3.295 417 HA ASP 56 HA ASP 56 12.391 0.769 4.492 418 HB2 ASP 56 HB2 ASP 56 9.792 0.655 2.940 419 HB3 ASP 56 HB3 ASP 56 10.510 -0.800 3.599 420 H LEU 57 HN LEU 57 11.488 0.978 1.034 421 HA LEU 57 HA LEU 57 12.503 -1.504 0.224 422 HB2 LEU 57 HB2 LEU 57 11.893 1.100 -1.154 423 HB3 LEU 57 HB3 LEU 57 12.820 -0.075 -2.061 424 HG LEU 57 HG LEU 57 10.124 -0.713 -0.813 425 HD11 LEU 57 HD11 LEU 57 9.294 -0.502 -3.159 426 HD12 LEU 57 HD12 LEU 57 10.911 0.060 -3.665 427 HD13 LEU 57 HD13 LEU 57 9.938 1.037 -2.544 428 HD21 LEU 57 HD21 LEU 57 11.731 -2.670 -1.387 429 HD22 LEU 57 HD22 LEU 57 11.571 -2.174 -3.073 430 HD23 LEU 57 HD23 LEU 57 10.146 -2.694 -2.148 431 H ASP 58 HN ASP 58 14.346 1.378 0.941 432 HA ASP 58 HA ASP 58 16.577 1.804 0.885 433 HB2 ASP 58 HB2 ASP 58 16.510 -0.415 2.129 434 HB3 ASP 58 HB3 ASP 58 17.003 -1.194 0.640 435 H GLY 59 HN GLY 59 15.028 1.561 -1.740 436 HA2 GLY 59 HA2 GLY 59 15.668 2.122 -3.894 437 HA3 GLY 59 HA1 GLY 59 17.350 1.746 -3.516 438 H LYS 60 HN LYS 60 15.111 -0.829 -2.596 439 HA LYS 60 HA LYS 60 16.184 -2.707 -4.360 440 HB2 LYS 60 HB2 LYS 60 13.909 -2.525 -2.551 441 HB3 LYS 60 HB3 LYS 60 13.688 -3.662 -3.828 442 HG2 LYS 60 HG2 LYS 60 16.078 -4.539 -3.101 443 HG3 LYS 60 HG3 LYS 60 15.717 -3.695 -1.600 444 HD2 LYS 60 HD2 LYS 60 13.575 -5.014 -1.434 445 HD3 LYS 60 HD3 LYS 60 13.958 -5.787 -2.981 446 HE2 LYS 60 HE2 LYS 60 14.468 -7.292 -1.167 447 HE3 LYS 60 HE3 LYS 60 15.929 -6.865 -2.048 448 HZ1 LYS 60 HZ1 LYS 60 16.480 -5.310 -0.275 449 HZ2 LYS 60 HZ2 LYS 60 16.283 -6.803 0.319 450 HZ3 LYS 60 HZ3 LYS 60 15.109 -5.643 0.529 451 H ARG 61 HN ARG 61 13.843 -0.260 -5.103 452 HA ARG 61 HA ARG 61 13.388 -1.397 -7.738 453 HB2 ARG 61 HB2 ARG 61 11.161 -0.740 -5.762 454 HB3 ARG 61 HB3 ARG 61 10.879 -0.715 -7.490 455 HG2 ARG 61 HG2 ARG 61 11.800 -3.166 -5.932 456 HG3 ARG 61 HG3 ARG 61 10.131 -2.812 -6.450 457 HD2 ARG 61 HD2 ARG 61 11.067 -2.631 -8.819 458 HD3 ARG 61 HD3 ARG 61 12.550 -3.372 -8.212 459 HE ARG 61 HE ARG 61 10.666 -5.133 -7.377 460 HH11 ARG 61 HH11 ARG 61 11.031 -3.595 -10.542 461 HH12 ARG 61 HH12 ARG 61 10.956 -5.040 -11.456 462 HH21 ARG 61 HH21 ARG 61 9.918 -6.982 -8.655 463 HH22 ARG 61 HH22 ARG 61 10.362 -7.035 -10.320 464 HA PRO 62 HA PRO 62 13.585 3.011 -8.550 465 HB2 PRO 62 HB2 PRO 62 11.915 3.237 -10.760 466 HB3 PRO 62 HB3 PRO 62 13.634 2.723 -10.816 467 HG2 PRO 62 HG2 PRO 62 11.150 1.071 -10.970 468 HG3 PRO 62 HG3 PRO 62 12.728 0.796 -11.767 469 HD2 PRO 62 HD2 PRO 62 11.832 -0.539 -9.515 470 HD3 PRO 62 HD3 PRO 62 13.548 -0.315 -9.924 471 H GLU 63 HN GLU 63 12.293 4.898 -8.314 472 HA GLU 63 HA GLU 63 9.947 4.658 -6.708 473 HB2 GLU 63 HB2 GLU 63 11.521 6.552 -6.574 474 HB3 GLU 63 HB3 GLU 63 11.089 7.048 -8.217 475 HG2 GLU 63 HG2 GLU 63 8.767 7.431 -7.507 476 HG3 GLU 63 HG3 GLU 63 9.104 6.781 -5.905 477 H ALA 64 HN ALA 64 10.427 5.314 -10.207 478 HA ALA 64 HA ALA 64 7.813 6.018 -10.887 479 HB1 ALA 64 HB1 ALA 64 8.391 5.150 -13.175 480 HB2 ALA 64 HB2 ALA 64 9.588 6.263 -12.500 481 HB3 ALA 64 HB3 ALA 64 9.900 4.515 -12.495 482 H GLU 65 HN GLU 65 9.206 2.684 -10.730 483 HA GLU 65 HA GLU 65 6.843 1.330 -11.457 484 HB2 GLU 65 HB2 GLU 65 9.117 0.386 -11.462 485 HB3 GLU 65 HB3 GLU 65 9.165 0.457 -9.686 486 HG2 GLU 65 HG2 GLU 65 7.263 -1.083 -9.554 487 HG3 GLU 65 HG3 GLU 65 7.084 -1.035 -11.309 488 H VAL 66 HN VAL 66 8.207 2.078 -8.225 489 HA VAL 66 HA VAL 66 6.212 0.695 -6.790 490 HB VAL 66 HB VAL 66 8.192 2.881 -5.997 491 HG11 VAL 66 HG11 VAL 66 6.592 1.061 -4.142 492 HG12 VAL 66 HG12 VAL 66 7.951 2.095 -3.671 493 HG13 VAL 66 HG13 VAL 66 6.458 2.833 -4.252 494 HG21 VAL 66 HG21 VAL 66 9.526 1.008 -5.233 495 HG22 VAL 66 HG22 VAL 66 8.256 -0.152 -5.589 496 HG23 VAL 66 HG23 VAL 66 9.094 0.686 -6.902 497 H ARG 67 HN ARG 67 6.451 4.207 -7.547 498 HA ARG 67 HA ARG 67 4.083 4.865 -6.068 499 HB2 ARG 67 HB2 ARG 67 4.390 7.047 -6.838 500 HB3 ARG 67 HB3 ARG 67 6.018 6.384 -6.806 501 HG2 ARG 67 HG2 ARG 67 5.423 5.829 -9.376 502 HG3 ARG 67 HG3 ARG 67 4.278 7.139 -9.124 503 HD2 ARG 67 HD2 ARG 67 7.304 7.133 -9.036 504 HD3 ARG 67 HD3 ARG 67 6.263 8.027 -10.133 505 HE ARG 67 HE ARG 67 5.885 8.904 -7.400 506 HH11 ARG 67 HH11 ARG 67 8.277 9.075 -10.132 507 HH12 ARG 67 HH12 ARG 67 9.103 10.379 -9.416 508 HH21 ARG 67 HH21 ARG 67 6.922 10.771 -6.660 509 HH22 ARG 67 HH22 ARG 67 8.268 11.466 -7.503 510 H ALA 68 HN ALA 68 4.596 3.783 -9.423 511 HA ALA 68 HA ALA 68 1.865 4.279 -10.237 512 HB1 ALA 68 HB1 ALA 68 2.466 2.920 -12.183 513 HB2 ALA 68 HB2 ALA 68 3.730 4.124 -11.856 514 HB3 ALA 68 HB3 ALA 68 3.968 2.416 -11.375 515 H LYS 69 HN LYS 69 3.642 1.419 -8.923 516 HA LYS 69 HA LYS 69 1.631 -0.517 -9.141 517 HB2 LYS 69 HB2 LYS 69 3.973 -0.853 -8.188 518 HB3 LYS 69 HB3 LYS 69 3.356 -0.201 -6.665 519 HG2 LYS 69 HG2 LYS 69 2.980 -2.455 -6.321 520 HG3 LYS 69 HG3 LYS 69 1.430 -2.028 -7.010 521 HD2 LYS 69 HD2 LYS 69 2.506 -2.719 -9.311 522 HD3 LYS 69 HD3 LYS 69 3.812 -3.350 -8.312 523 HE2 LYS 69 HE2 LYS 69 2.624 -5.265 -8.428 524 HE3 LYS 69 HE3 LYS 69 1.839 -4.552 -7.012 525 HZ1 LYS 69 HZ1 LYS 69 0.163 -5.261 -8.502 526 HZ2 LYS 69 HZ2 LYS 69 0.875 -4.554 -9.810 527 HZ3 LYS 69 HZ3 LYS 69 0.179 -3.621 -8.677 528 H TYR 70 HN TYR 70 2.168 1.905 -6.554 529 HA TYR 70 HA TYR 70 0.037 1.255 -4.886 530 HB2 TYR 70 HB2 TYR 70 1.951 2.791 -4.378 531 HB3 TYR 70 HB3 TYR 70 1.243 4.006 -5.408 532 HD1 TYR 70 HD2 TYR 70 -0.171 1.702 -2.737 533 HD2 TYR 70 HD1 TYR 70 0.430 5.776 -4.103 534 HE1 TYR 70 HE2 TYR 70 -1.387 2.541 -0.801 535 HE2 TYR 70 HE1 TYR 70 -0.792 6.610 -2.132 536 HH TYR 70 HH TYR 70 -1.905 6.012 -0.077 537 H GLU 71 HN GLU 71 0.091 3.931 -7.294 538 HA GLU 71 HA GLU 71 -2.592 4.656 -6.961 539 HB2 GLU 71 HB2 GLU 71 -0.590 4.970 -9.225 540 HB3 GLU 71 HB3 GLU 71 -2.250 5.501 -9.463 541 HG2 GLU 71 HG2 GLU 71 -0.513 6.452 -7.160 542 HG3 GLU 71 HG3 GLU 71 -0.685 7.299 -8.698 543 H GLY 72 HN GLY 72 -1.229 2.280 -9.288 544 HA2 GLY 72 HA2 GLY 72 -3.643 1.820 -10.738 545 HA3 GLY 72 HA1 GLY 72 -2.244 0.745 -10.634 546 H LEU 73 HN LEU 73 -2.546 0.681 -7.607 547 HA LEU 73 HA LEU 73 -4.097 -1.680 -7.524 548 HB2 LEU 73 HB2 LEU 73 -2.085 -0.676 -6.043 549 HB3 LEU 73 HB3 LEU 73 -3.412 -0.158 -5.031 550 HG LEU 73 HG LEU 73 -4.109 -2.476 -4.592 551 HD11 LEU 73 HD11 LEU 73 -2.605 -4.327 -5.460 552 HD12 LEU 73 HD12 LEU 73 -1.882 -3.174 -6.600 553 HD13 LEU 73 HD13 LEU 73 -3.597 -3.598 -6.729 554 HD21 LEU 73 HD21 LEU 73 -1.062 -1.847 -4.522 555 HD22 LEU 73 HD22 LEU 73 -1.758 -3.165 -3.639 556 HD23 LEU 73 HD23 LEU 73 -2.248 -1.501 -3.260 557 H MET 74 HN MET 74 -5.027 1.686 -7.077 558 HA MET 74 HA MET 74 -7.057 1.372 -5.134 559 HB2 MET 74 HB2 MET 74 -6.290 3.547 -5.863 560 HB3 MET 74 HB3 MET 74 -6.896 3.280 -7.507 561 HG2 MET 74 HG2 MET 74 -9.175 3.316 -6.783 562 HG3 MET 74 HG3 MET 74 -8.729 3.219 -5.080 563 HE1 MET 74 HE1 MET 74 -6.857 5.155 -4.188 564 HE2 MET 74 HE2 MET 74 -7.690 6.717 -4.059 565 HE3 MET 74 HE3 MET 74 -8.503 5.224 -3.538 566 H ALA 75 HN ALA 75 -7.225 0.870 -8.669 567 HA ALA 75 HA ALA 75 -10.024 0.266 -8.813 568 HB1 ALA 75 HB1 ALA 75 -7.646 -0.684 -10.457 569 HB2 ALA 75 HB2 ALA 75 -9.333 -0.907 -10.913 570 HB3 ALA 75 HB3 ALA 75 -8.663 0.741 -10.810 571 H VAL 76 HN VAL 76 -7.129 -1.735 -8.160 572 HA VAL 76 HA VAL 76 -8.502 -4.250 -8.334 573 HB VAL 76 HB VAL 76 -5.872 -3.744 -6.852 574 HG11 VAL 76 HG11 VAL 76 -7.207 -6.064 -8.313 575 HG12 VAL 76 HG12 VAL 76 -5.474 -6.042 -8.032 576 HG13 VAL 76 HG13 VAL 76 -6.594 -6.000 -6.647 577 HG21 VAL 76 HG21 VAL 76 -4.740 -4.117 -9.083 578 HG22 VAL 76 HG22 VAL 76 -6.319 -3.867 -9.866 579 HG23 VAL 76 HG23 VAL 76 -5.553 -2.564 -8.952 580 H ALA 77 HN ALA 77 -7.468 -2.122 -5.693 581 HA ALA 77 HA ALA 77 -8.065 -3.627 -3.486 582 HB1 ALA 77 HB1 ALA 77 -6.914 -1.461 -3.469 583 HB2 ALA 77 HB2 ALA 77 -8.431 -0.622 -3.843 584 HB3 ALA 77 HB3 ALA 77 -8.261 -1.487 -2.313 585 H LYS 78 HN LYS 78 -10.059 -1.394 -5.411 586 HA LYS 78 HA LYS 78 -12.558 -1.751 -4.010 587 HB2 LYS 78 HB2 LYS 78 -11.680 -0.534 -6.653 588 HB3 LYS 78 HB3 LYS 78 -13.381 -0.816 -6.333 589 HG2 LYS 78 HG2 LYS 78 -13.222 0.559 -4.233 590 HG3 LYS 78 HG3 LYS 78 -11.506 0.843 -4.581 591 HD2 LYS 78 HD2 LYS 78 -12.767 2.761 -5.377 592 HD3 LYS 78 HD3 LYS 78 -12.130 1.861 -6.747 593 HE2 LYS 78 HE2 LYS 78 -14.541 0.643 -6.619 594 HE3 LYS 78 HE3 LYS 78 -14.996 2.121 -5.773 595 HZ1 LYS 78 HZ1 LYS 78 -13.589 2.206 -8.367 596 HZ2 LYS 78 HZ2 LYS 78 -14.492 3.377 -7.691 597 HZ3 LYS 78 HZ3 LYS 78 -15.198 2.007 -8.320 598 H ALA 79 HN ALA 79 -11.152 -3.368 -6.893 599 HA ALA 79 HA ALA 79 -13.456 -4.843 -7.595 600 HB1 ALA 79 HB1 ALA 79 -10.583 -5.829 -7.722 601 HB2 ALA 79 HB2 ALA 79 -11.984 -6.447 -8.607 602 HB3 ALA 79 HB3 ALA 79 -11.383 -4.814 -8.949 603 H GLN 80 HN GLN 80 -10.788 -5.666 -5.342 604 HA GLN 80 HA GLN 80 -11.852 -8.075 -4.421 605 HB2 GLN 80 HB2 GLN 80 -10.018 -6.086 -3.053 606 HB3 GLN 80 HB3 GLN 80 -10.422 -7.676 -2.382 607 HG2 GLN 80 HG2 GLN 80 -9.509 -8.795 -4.383 608 HG3 GLN 80 HG3 GLN 80 -9.051 -7.223 -5.066 609 HE21 GLN 80 HE21 GLN 80 -6.956 -9.013 -4.725 610 HE22 GLN 80 HE22 GLN 80 -6.044 -8.620 -3.290 611 H LEU 81 HN LEU 81 -12.691 -4.788 -3.188 612 HA LEU 81 HA LEU 81 -13.851 -5.661 -0.731 613 HB2 LEU 81 HB2 LEU 81 -14.523 -3.379 -2.674 614 HB3 LEU 81 HB3 LEU 81 -15.480 -3.627 -1.241 615 HG LEU 81 HG LEU 81 -12.535 -2.995 -1.159 616 HD11 LEU 81 HD11 LEU 81 -15.086 -1.308 -1.107 617 HD12 LEU 81 HD12 LEU 81 -13.732 -1.155 -2.213 618 HD13 LEU 81 HD13 LEU 81 -13.513 -0.678 -0.529 619 HD21 LEU 81 HD21 LEU 81 -12.935 -2.463 1.186 620 HD22 LEU 81 HD22 LEU 81 -13.465 -4.119 0.883 621 HD23 LEU 81 HD23 LEU 81 -14.660 -2.812 1.020 622 H MET 82 HN MET 82 -15.289 -5.172 -3.956 623 HA MET 82 HA MET 82 -17.934 -5.980 -3.057 624 HB2 MET 82 HB2 MET 82 -16.985 -5.835 -5.914 625 HB3 MET 82 HB3 MET 82 -18.608 -5.555 -5.287 626 HG2 MET 82 HG2 MET 82 -16.182 -3.755 -5.175 627 HG3 MET 82 HG3 MET 82 -17.702 -3.446 -5.934 628 HE1 MET 82 HE1 MET 82 -19.498 -2.077 -4.973 629 HE2 MET 82 HE2 MET 82 -20.031 -3.540 -4.105 630 HE3 MET 82 HE3 MET 82 -19.908 -1.984 -3.246 631 H ASP 83 HN ASP 83 -15.108 -7.564 -4.329 632 HA ASP 83 HA ASP 83 -16.241 -10.073 -5.113 633 HB2 ASP 83 HB2 ASP 83 -13.940 -8.935 -5.625 634 HB3 ASP 83 HB3 ASP 83 -13.429 -9.582 -4.072 635 H GLU 84 HN GLU 84 -14.660 -8.813 -2.163 636 HA GLU 84 HA GLU 84 -14.989 -11.145 -0.502 637 HB2 GLU 84 HB2 GLU 84 -14.449 -8.196 0.113 638 HB3 GLU 84 HB3 GLU 84 -14.470 -9.455 1.315 639 HG2 GLU 84 HG2 GLU 84 -12.643 -10.381 -0.623 640 HG3 GLU 84 HG3 GLU 84 -12.331 -8.670 -0.494 641 H LEU 85 HN LEU 85 -17.469 -9.359 -1.690 642 HA LEU 85 HA LEU 85 -18.966 -8.988 0.877 643 HB2 LEU 85 HB2 LEU 85 -18.823 -7.246 -1.168 644 HB3 LEU 85 HB3 LEU 85 -20.078 -8.261 -1.820 645 HG LEU 85 HG LEU 85 -20.109 -6.635 0.729 646 HD11 LEU 85 HD11 LEU 85 -20.588 -5.561 -1.508 647 HD12 LEU 85 HD12 LEU 85 -21.957 -5.477 -0.367 648 HD13 LEU 85 HD13 LEU 85 -21.972 -6.650 -1.683 649 HD21 LEU 85 HD21 LEU 85 -22.444 -7.376 1.118 650 HD22 LEU 85 HD22 LEU 85 -21.294 -8.691 1.329 651 HD23 LEU 85 HD23 LEU 85 -22.257 -8.591 -0.166 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -20.050 6.682 4.164 2 HA2 GLY 1 HA2 GLY 1 -19.272 7.871 1.562 3 HA3 GLY 1 HA1 GLY 1 -18.385 8.129 3.064 4 H MET 2 HN MET 2 -17.406 6.952 0.528 5 HA MET 2 HA MET 2 -16.890 4.092 1.181 6 HB2 MET 2 HB2 MET 2 -16.144 5.767 -1.255 7 HB3 MET 2 HB3 MET 2 -16.063 4.017 -1.121 8 HG2 MET 2 HG2 MET 2 -18.614 5.686 -1.039 9 HG3 MET 2 HG3 MET 2 -18.007 4.835 -2.445 10 HE1 MET 2 HE1 MET 2 -17.201 2.138 -2.007 11 HE2 MET 2 HE2 MET 2 -18.688 1.172 -1.887 12 HE3 MET 2 HE3 MET 2 -18.568 2.494 -3.074 13 H GLN 3 HN GLN 3 -15.451 7.076 1.781 14 HA GLN 3 HA GLN 3 -12.904 6.836 0.707 15 HB2 GLN 3 HB2 GLN 3 -14.603 8.770 1.813 16 HB3 GLN 3 HB3 GLN 3 -13.259 8.786 2.921 17 HG2 GLN 3 HG2 GLN 3 -12.951 9.010 -0.110 18 HG3 GLN 3 HG3 GLN 3 -13.209 10.392 0.940 19 HE21 GLN 3 HE21 GLN 3 -10.743 8.045 -0.147 20 HE22 GLN 3 HE22 GLN 3 -9.566 8.574 1.045 21 H PHE 4 HN PHE 4 -13.559 4.701 2.814 22 HA PHE 4 HA PHE 4 -11.149 5.010 4.587 23 HB2 PHE 4 HB2 PHE 4 -13.926 4.907 5.268 24 HB3 PHE 4 HB3 PHE 4 -13.191 3.477 5.911 25 HD1 PHE 4 HD1 PHE 4 -12.302 7.162 5.561 26 HD2 PHE 4 HD2 PHE 4 -12.463 3.727 8.157 27 HE1 PHE 4 HE1 PHE 4 -11.384 8.503 7.395 28 HE2 PHE 4 HE2 PHE 4 -11.526 5.067 9.994 29 HZ PHE 4 HZ PHE 4 -10.986 7.491 9.630 30 H LYS 5 HN LYS 5 -13.724 2.671 3.779 31 HA LYS 5 HA LYS 5 -12.345 0.280 3.828 32 HB2 LYS 5 HB2 LYS 5 -14.692 1.399 2.333 33 HB3 LYS 5 HB3 LYS 5 -14.054 -0.142 1.740 34 HG2 LYS 5 HG2 LYS 5 -14.374 -1.233 3.825 35 HG3 LYS 5 HG3 LYS 5 -14.691 0.277 4.683 36 HD2 LYS 5 HD2 LYS 5 -16.481 -0.799 2.461 37 HD3 LYS 5 HD3 LYS 5 -16.701 -1.150 4.168 38 HE2 LYS 5 HE2 LYS 5 -16.492 1.553 4.328 39 HE3 LYS 5 HE3 LYS 5 -17.088 1.416 2.670 40 HZ1 LYS 5 HZ1 LYS 5 -18.928 -0.010 3.653 41 HZ2 LYS 5 HZ2 LYS 5 -19.004 1.565 4.025 42 HZ3 LYS 5 HZ3 LYS 5 -18.422 0.497 5.137 43 H ALA 6 HN ALA 6 -12.620 2.393 0.912 44 HA ALA 6 HA ALA 6 -10.954 0.634 -0.700 45 HB1 ALA 6 HB1 ALA 6 -12.686 2.079 -1.699 46 HB2 ALA 6 HB2 ALA 6 -11.818 3.527 -1.129 47 HB3 ALA 6 HB3 ALA 6 -11.072 2.459 -2.336 48 H GLU 7 HN GLU 7 -10.379 3.424 1.410 49 HA GLU 7 HA GLU 7 -7.867 4.212 0.342 50 HB2 GLU 7 HB2 GLU 7 -9.281 5.837 1.172 51 HB3 GLU 7 HB3 GLU 7 -9.926 4.865 2.486 52 HG2 GLU 7 HG2 GLU 7 -8.214 5.189 3.857 53 HG3 GLU 7 HG3 GLU 7 -7.053 5.665 2.603 54 H ALA 8 HN ALA 8 -8.822 2.680 3.509 55 HA ALA 8 HA ALA 8 -6.282 1.825 4.303 56 HB1 ALA 8 HB1 ALA 8 -9.022 0.557 4.742 57 HB2 ALA 8 HB2 ALA 8 -7.532 0.028 5.557 58 HB3 ALA 8 HB3 ALA 8 -8.142 1.653 5.823 59 H ARG 9 HN ARG 9 -8.673 0.098 2.192 60 HA ARG 9 HA ARG 9 -7.005 -2.235 2.024 61 HB2 ARG 9 HB2 ARG 9 -9.478 -2.246 1.597 62 HB3 ARG 9 HB3 ARG 9 -9.198 -1.382 0.090 63 HG2 ARG 9 HG2 ARG 9 -9.509 -3.682 -0.470 64 HG3 ARG 9 HG3 ARG 9 -7.811 -3.330 -0.700 65 HD2 ARG 9 HD2 ARG 9 -7.697 -5.369 0.315 66 HD3 ARG 9 HD3 ARG 9 -7.512 -4.341 1.733 67 HE ARG 9 HE ARG 9 -10.056 -4.710 2.050 68 HH11 ARG 9 HH11 ARG 9 -7.706 -7.225 1.148 69 HH12 ARG 9 HH12 ARG 9 -8.882 -8.480 1.148 70 HH21 ARG 9 HH21 ARG 9 -11.547 -6.513 2.354 71 HH22 ARG 9 HH22 ARG 9 -10.983 -8.116 1.964 72 H ARG 10 HN ARG 10 -7.028 0.807 0.093 73 HA ARG 10 HA ARG 10 -5.253 -0.078 -1.953 74 HB2 ARG 10 HB2 ARG 10 -6.487 2.243 -1.728 75 HB3 ARG 10 HB3 ARG 10 -5.133 2.691 -0.692 76 HG2 ARG 10 HG2 ARG 10 -3.644 1.846 -2.719 77 HG3 ARG 10 HG3 ARG 10 -5.142 1.935 -3.627 78 HD2 ARG 10 HD2 ARG 10 -3.246 3.966 -3.119 79 HD3 ARG 10 HD3 ARG 10 -4.717 4.054 -4.091 80 HE ARG 10 HE ARG 10 -4.978 4.520 -1.190 81 HH11 ARG 10 HH11 ARG 10 -4.307 6.173 -4.334 82 HH12 ARG 10 HH12 ARG 10 -4.728 7.703 -3.689 83 HH21 ARG 10 HH21 ARG 10 -5.522 6.636 -0.433 84 HH22 ARG 10 HH22 ARG 10 -5.409 7.968 -1.545 85 H ASN 11 HN ASN 11 -4.500 1.658 1.117 86 HA ASN 11 HA ASN 11 -1.727 1.419 0.925 87 HB2 ASN 11 HB2 ASN 11 -3.542 1.602 3.369 88 HB3 ASN 11 HB3 ASN 11 -1.792 1.524 3.483 89 HD21 ASN 11 HD21 ASN 11 -4.477 3.729 2.817 90 HD22 ASN 11 HD22 ASN 11 -3.449 5.039 2.393 91 H LYS 12 HN LYS 12 -4.007 -0.825 2.601 92 HA LYS 12 HA LYS 12 -2.098 -2.611 3.615 93 HB2 LYS 12 HB2 LYS 12 -4.565 -2.475 4.118 94 HB3 LYS 12 HB3 LYS 12 -4.882 -3.335 2.599 95 HG2 LYS 12 HG2 LYS 12 -3.523 -5.266 3.446 96 HG3 LYS 12 HG3 LYS 12 -3.191 -4.342 4.930 97 HD2 LYS 12 HD2 LYS 12 -5.727 -4.164 5.219 98 HD3 LYS 12 HD3 LYS 12 -5.864 -5.413 3.956 99 HE2 LYS 12 HE2 LYS 12 -4.461 -6.937 5.347 100 HE3 LYS 12 HE3 LYS 12 -4.289 -5.656 6.566 101 HZ1 LYS 12 HZ1 LYS 12 -6.783 -5.709 6.700 102 HZ2 LYS 12 HZ2 LYS 12 -5.966 -7.035 7.280 103 HZ3 LYS 12 HZ3 LYS 12 -6.704 -7.126 5.818 104 H LEU 13 HN LEU 13 -3.800 -2.772 0.422 105 HA LEU 13 HA LEU 13 -2.430 -5.157 -0.404 106 HB2 LEU 13 HB2 LEU 13 -3.841 -2.952 -1.955 107 HB3 LEU 13 HB3 LEU 13 -3.155 -4.387 -2.724 108 HG LEU 13 HG LEU 13 -5.384 -4.430 -0.654 109 HD11 LEU 13 HD11 LEU 13 -6.800 -5.017 -2.571 110 HD12 LEU 13 HD12 LEU 13 -5.411 -4.925 -3.672 111 HD13 LEU 13 HD13 LEU 13 -5.998 -3.460 -2.870 112 HD21 LEU 13 HD21 LEU 13 -5.578 -6.798 -1.297 113 HD22 LEU 13 HD22 LEU 13 -4.054 -6.478 -0.511 114 HD23 LEU 13 HD23 LEU 13 -4.108 -6.649 -2.292 115 H MET 14 HN MET 14 -1.443 -1.669 -0.632 116 HA MET 14 HA MET 14 0.724 -2.206 -2.368 117 HB2 MET 14 HB2 MET 14 -0.186 0.015 -1.778 118 HB3 MET 14 HB3 MET 14 0.457 -0.128 -0.144 119 HG2 MET 14 HG2 MET 14 1.934 1.216 -1.498 120 HG3 MET 14 HG3 MET 14 2.747 -0.270 -1.023 121 HE1 MET 14 HE1 MET 14 4.556 0.516 -2.813 122 HE2 MET 14 HE2 MET 14 4.169 0.862 -4.515 123 HE3 MET 14 HE3 MET 14 3.495 1.880 -3.222 124 H GLY 15 HN GLY 15 0.378 -2.352 1.203 125 HA2 GLY 15 HA2 GLY 15 2.938 -3.035 1.988 126 HA3 GLY 15 HA1 GLY 15 1.468 -3.600 2.779 127 H LEU 16 HN LEU 16 0.419 -5.473 0.880 128 HA LEU 16 HA LEU 16 2.102 -7.682 1.316 129 HB2 LEU 16 HB2 LEU 16 -0.180 -7.242 -0.646 130 HB3 LEU 16 HB3 LEU 16 0.713 -8.732 -0.518 131 HG LEU 16 HG LEU 16 -1.225 -9.110 0.653 132 HD11 LEU 16 HD11 LEU 16 0.820 -9.955 1.792 133 HD12 LEU 16 HD12 LEU 16 -0.553 -9.703 2.884 134 HD13 LEU 16 HD13 LEU 16 0.777 -8.529 2.858 135 HD21 LEU 16 HD21 LEU 16 -0.801 -6.585 2.254 136 HD22 LEU 16 HD22 LEU 16 -2.097 -7.763 2.499 137 HD23 LEU 16 HD23 LEU 16 -2.019 -6.846 0.991 138 H TRP 17 HN TRP 17 1.876 -5.565 -1.564 139 HA TRP 17 HA TRP 17 3.656 -7.200 -3.172 140 HB2 TRP 17 HB2 TRP 17 2.159 -5.662 -4.267 141 HB3 TRP 17 HB3 TRP 17 2.814 -4.289 -3.374 142 HD1 TRP 17 HD1 TRP 17 3.949 -6.832 -6.061 143 HE1 TRP 17 HE1 TRP 17 5.745 -5.754 -7.537 144 HE3 TRP 17 HE3 TRP 17 4.482 -2.375 -3.598 145 HZ2 TRP 17 HZ2 TRP 17 7.398 -3.390 -7.489 146 HZ3 TRP 17 HZ3 TRP 17 6.218 -0.748 -4.306 147 HH2 TRP 17 HH2 TRP 17 7.673 -1.248 -6.271 148 H VAL 18 HN VAL 18 4.149 -4.241 -1.155 149 HA VAL 18 HA VAL 18 6.934 -4.044 -1.730 150 HB VAL 18 HB VAL 18 5.345 -3.112 0.685 151 HG11 VAL 18 HG11 VAL 18 7.198 -1.454 0.956 152 HG12 VAL 18 HG12 VAL 18 7.770 -3.111 1.187 153 HG13 VAL 18 HG13 VAL 18 8.099 -2.267 -0.340 154 HG21 VAL 18 HG21 VAL 18 6.191 -1.572 -1.802 155 HG22 VAL 18 HG22 VAL 18 4.534 -2.081 -1.414 156 HG23 VAL 18 HG23 VAL 18 5.345 -0.914 -0.383 157 H ALA 19 HN ALA 19 5.140 -5.861 0.804 158 HA ALA 19 HA ALA 19 7.344 -6.831 2.234 159 HB1 ALA 19 HB1 ALA 19 5.795 -8.529 3.051 160 HB2 ALA 19 HB2 ALA 19 4.964 -6.981 2.960 161 HB3 ALA 19 HB3 ALA 19 4.673 -8.219 1.718 162 H GLU 20 HN GLU 20 5.688 -8.226 -0.651 163 HA GLU 20 HA GLU 20 7.308 -10.551 -0.911 164 HB2 GLU 20 HB2 GLU 20 5.293 -10.445 -2.073 165 HB3 GLU 20 HB3 GLU 20 5.609 -8.862 -2.762 166 HG2 GLU 20 HG2 GLU 20 7.342 -9.826 -4.241 167 HG3 GLU 20 HG3 GLU 20 7.016 -11.432 -3.563 168 H VAL 21 HN VAL 21 7.703 -7.233 -2.288 169 HA VAL 21 HA VAL 21 10.120 -7.808 -3.693 170 HB VAL 21 HB VAL 21 8.924 -5.227 -2.617 171 HG11 VAL 21 HG11 VAL 21 11.255 -5.519 -4.559 172 HG12 VAL 21 HG12 VAL 21 10.395 -4.006 -4.160 173 HG13 VAL 21 HG13 VAL 21 11.335 -4.837 -2.925 174 HG21 VAL 21 HG21 VAL 21 7.625 -6.401 -4.409 175 HG22 VAL 21 HG22 VAL 21 8.280 -4.857 -4.956 176 HG23 VAL 21 HG23 VAL 21 9.065 -6.376 -5.439 177 H LEU 22 HN LEU 22 9.531 -7.080 -0.272 178 HA LEU 22 HA LEU 22 12.363 -6.758 0.384 179 HB2 LEU 22 HB2 LEU 22 9.871 -7.153 2.076 180 HB3 LEU 22 HB3 LEU 22 11.481 -6.984 2.753 181 HG LEU 22 HG LEU 22 10.300 -4.850 0.951 182 HD11 LEU 22 HD11 LEU 22 9.589 -3.642 2.922 183 HD12 LEU 22 HD12 LEU 22 10.181 -4.901 3.998 184 HD13 LEU 22 HD13 LEU 22 8.794 -5.212 2.913 185 HD21 LEU 22 HD21 LEU 22 12.523 -4.822 3.036 186 HD22 LEU 22 HD22 LEU 22 11.929 -3.406 2.173 187 HD23 LEU 22 HD23 LEU 22 12.725 -4.707 1.283 188 H GLY 23 HN GLY 23 10.473 -9.590 -0.387 189 HA2 GLY 23 HA2 GLY 23 11.170 -11.798 -0.232 190 HA3 GLY 23 HA1 GLY 23 12.594 -11.314 0.696 191 H LYS 24 HN LYS 24 9.356 -10.285 1.569 192 HA LYS 24 HA LYS 24 9.363 -11.976 4.030 193 HB2 LYS 24 HB2 LYS 24 7.565 -9.714 3.105 194 HB3 LYS 24 HB3 LYS 24 7.370 -10.582 4.616 195 HG2 LYS 24 HG2 LYS 24 9.552 -9.813 5.402 196 HG3 LYS 24 HG3 LYS 24 9.903 -9.033 3.863 197 HD2 LYS 24 HD2 LYS 24 8.217 -7.365 4.207 198 HD3 LYS 24 HD3 LYS 24 7.553 -8.229 5.600 199 HE2 LYS 24 HE2 LYS 24 8.967 -6.256 6.228 200 HE3 LYS 24 HE3 LYS 24 9.450 -7.787 6.955 201 HZ1 LYS 24 HZ1 LYS 24 10.835 -6.635 4.628 202 HZ2 LYS 24 HZ2 LYS 24 11.278 -7.950 5.553 203 HZ3 LYS 24 HZ3 LYS 24 11.276 -6.466 6.209 204 H SER 25 HN SER 25 7.252 -13.106 4.421 205 HA SER 25 HA SER 25 5.333 -13.688 2.453 206 HB2 SER 25 HB2 SER 25 7.719 -15.571 2.617 207 HB3 SER 25 HB3 SER 25 6.112 -16.214 2.275 208 HG SER 25 HG SER 25 7.254 -14.069 0.836 209 H GLY 26 HN GLY 26 4.223 -15.933 3.327 210 HA2 GLY 26 HA2 GLY 26 3.170 -16.945 5.081 211 HA3 GLY 26 HA1 GLY 26 4.631 -16.640 6.044 212 H ASP 27 HN ASP 27 4.021 -15.649 7.860 213 HA ASP 27 HA ASP 27 1.620 -13.957 7.939 214 HB2 ASP 27 HB2 ASP 27 3.470 -15.039 10.102 215 HB3 ASP 27 HB3 ASP 27 2.083 -14.003 10.387 216 H GLU 28 HN GLU 28 5.070 -13.632 8.101 217 HA GLU 28 HA GLU 28 5.535 -11.017 8.958 218 HB2 GLU 28 HB2 GLU 28 6.920 -13.066 7.386 219 HB3 GLU 28 HB3 GLU 28 7.084 -11.516 6.571 220 HG2 GLU 28 HG2 GLU 28 7.576 -10.805 9.137 221 HG3 GLU 28 HG3 GLU 28 8.189 -12.445 9.164 222 H ALA 29 HN ALA 29 4.604 -12.051 5.652 223 HA ALA 29 HA ALA 29 4.577 -9.416 4.590 224 HB1 ALA 29 HB1 ALA 29 2.948 -11.865 3.736 225 HB2 ALA 29 HB2 ALA 29 3.167 -10.373 2.781 226 HB3 ALA 29 HB3 ALA 29 4.577 -11.399 3.141 227 H ASN 30 HN ASN 30 2.173 -11.087 6.479 228 HA ASN 30 HA ASN 30 -0.019 -9.221 5.768 229 HB2 ASN 30 HB2 ASN 30 0.170 -11.655 7.574 230 HB3 ASN 30 HB3 ASN 30 -1.141 -10.500 7.771 231 HD21 ASN 30 HD21 ASN 30 -0.763 -13.404 6.517 232 HD22 ASN 30 HD22 ASN 30 -1.629 -13.289 4.988 233 H ALA 31 HN ALA 31 2.291 -9.852 8.425 234 HA ALA 31 HA ALA 31 1.235 -7.860 10.202 235 HB1 ALA 31 HB1 ALA 31 3.402 -8.057 11.318 236 HB2 ALA 31 HB2 ALA 31 2.781 -9.663 10.913 237 HB3 ALA 31 HB3 ALA 31 4.082 -8.938 9.940 238 H TYR 32 HN TYR 32 3.719 -7.832 7.631 239 HA TYR 32 HA TYR 32 4.459 -5.079 7.916 240 HB2 TYR 32 HB2 TYR 32 5.794 -6.776 6.731 241 HB3 TYR 32 HB3 TYR 32 4.562 -6.900 5.479 242 HD1 TYR 32 HD1 TYR 32 4.135 -4.986 3.945 243 HD2 TYR 32 HD2 TYR 32 7.340 -4.869 6.816 244 HE1 TYR 32 HE1 TYR 32 5.104 -3.023 2.788 245 HE2 TYR 32 HE2 TYR 32 8.321 -2.911 5.661 246 HH TYR 32 HH TYR 32 8.149 -1.652 3.326 247 H ALA 33 HN ALA 33 1.737 -6.628 6.191 248 HA ALA 33 HA ALA 33 0.919 -4.286 4.811 249 HB1 ALA 33 HB1 ALA 33 0.160 -6.649 4.363 250 HB2 ALA 33 HB2 ALA 33 -0.916 -6.513 5.778 251 HB3 ALA 33 HB3 ALA 33 -1.132 -5.435 4.384 252 H ALA 34 HN ALA 34 1.004 -4.613 8.200 253 HA ALA 34 HA ALA 34 -1.104 -2.554 8.610 254 HB1 ALA 34 HB1 ALA 34 -0.320 -2.508 10.901 255 HB2 ALA 34 HB2 ALA 34 -0.645 -4.189 10.412 256 HB3 ALA 34 HB3 ALA 34 1.036 -3.585 10.499 257 H GLU 35 HN GLU 35 2.512 -2.834 8.458 258 HA GLU 35 HA GLU 35 3.156 -0.284 9.312 259 HB2 GLU 35 HB2 GLU 35 4.517 -2.114 7.260 260 HB3 GLU 35 HB3 GLU 35 5.244 -0.665 7.890 261 HG2 GLU 35 HG2 GLU 35 4.341 -2.943 9.679 262 HG3 GLU 35 HG3 GLU 35 5.954 -2.793 9.011 263 H VAL 36 HN VAL 36 2.177 -1.297 6.054 264 HA VAL 36 HA VAL 36 2.825 1.302 4.909 265 HB VAL 36 HB VAL 36 1.405 -1.108 3.734 266 HG11 VAL 36 HG11 VAL 36 2.041 -0.167 1.521 267 HG12 VAL 36 HG12 VAL 36 0.829 0.826 2.337 268 HG13 VAL 36 HG13 VAL 36 2.530 1.341 2.309 269 HG21 VAL 36 HG21 VAL 36 4.278 -0.130 3.883 270 HG22 VAL 36 HG22 VAL 36 3.623 -1.721 4.287 271 HG23 VAL 36 HG23 VAL 36 3.771 -1.205 2.594 272 H VAL 37 HN VAL 37 0.237 0.373 6.847 273 HA VAL 37 HA VAL 37 -1.736 2.189 5.565 274 HB VAL 37 HB VAL 37 -1.906 0.264 7.920 275 HG11 VAL 37 HG11 VAL 37 -3.517 1.948 8.303 276 HG12 VAL 37 HG12 VAL 37 -4.036 1.966 6.602 277 HG13 VAL 37 HG13 VAL 37 -4.395 0.566 7.642 278 HG21 VAL 37 HG21 VAL 37 -3.101 -0.023 5.139 279 HG22 VAL 37 HG22 VAL 37 -1.601 -0.820 5.660 280 HG23 VAL 37 HG23 VAL 37 -3.098 -1.216 6.463 281 H LYS 38 HN LYS 38 0.633 2.156 8.082 282 HA LYS 38 HA LYS 38 -0.864 3.959 9.740 283 HB2 LYS 38 HB2 LYS 38 1.065 2.028 10.124 284 HB3 LYS 38 HB3 LYS 38 1.936 3.527 10.533 285 HG2 LYS 38 HG2 LYS 38 -0.053 4.106 12.033 286 HG3 LYS 38 HG3 LYS 38 -0.750 2.552 11.569 287 HD2 LYS 38 HD2 LYS 38 0.212 2.109 13.676 288 HD3 LYS 38 HD3 LYS 38 1.358 1.450 12.502 289 HE2 LYS 38 HE2 LYS 38 2.726 2.578 14.055 290 HE3 LYS 38 HE3 LYS 38 2.605 3.686 12.684 291 HZ1 LYS 38 HZ1 LYS 38 0.934 4.918 13.887 292 HZ2 LYS 38 HZ2 LYS 38 2.344 4.882 14.702 293 HZ3 LYS 38 HZ3 LYS 38 1.102 3.936 15.208 294 H ALA 39 HN ALA 39 0.791 4.831 6.983 295 HA ALA 39 HA ALA 39 1.822 7.355 8.150 296 HB1 ALA 39 HB1 ALA 39 2.232 6.114 5.406 297 HB2 ALA 39 HB2 ALA 39 2.998 7.589 6.009 298 HB3 ALA 39 HB3 ALA 39 3.378 6.034 6.768 299 H ASP 40 HN ASP 40 -0.842 6.196 6.180 300 HA ASP 40 HA ASP 40 -1.422 8.711 4.885 301 HB2 ASP 40 HB2 ASP 40 -2.243 6.637 3.961 302 HB3 ASP 40 HB3 ASP 40 -3.125 6.258 5.447 303 H PHE 41 HN PHE 41 -1.011 10.028 6.679 304 HA PHE 41 HA PHE 41 -3.431 10.983 7.998 305 HB2 PHE 41 HB2 PHE 41 -0.880 10.376 9.568 306 HB3 PHE 41 HB3 PHE 41 -2.286 11.256 10.164 307 HD1 PHE 41 HD2 PHE 41 -4.533 10.000 10.343 308 HD2 PHE 41 HD1 PHE 41 -0.771 8.019 9.664 309 HE1 PHE 41 HE2 PHE 41 -5.575 7.820 10.924 310 HE2 PHE 41 HE1 PHE 41 -1.816 5.844 10.238 311 HZ PHE 41 HZ PHE 41 -4.220 5.722 10.805 312 H GLU 42 HN GLU 42 -3.352 12.984 7.017 313 HA GLU 42 HA GLU 42 -2.787 15.110 6.683 314 HB2 GLU 42 HB2 GLU 42 -1.438 14.400 9.131 315 HB3 GLU 42 HB3 GLU 42 -0.379 15.480 8.256 316 HG2 GLU 42 HG2 GLU 42 -3.284 15.970 8.987 317 HG3 GLU 42 HG3 GLU 42 -1.881 16.668 9.785 318 H GLU 43 HN GLU 43 -1.020 12.817 5.346 319 HA GLU 43 HA GLU 43 1.300 14.120 4.347 320 HB2 GLU 43 HB2 GLU 43 1.342 12.237 2.833 321 HB3 GLU 43 HB3 GLU 43 1.006 11.722 4.514 322 HG2 GLU 43 HG2 GLU 43 -1.303 11.308 4.036 323 HG3 GLU 43 HG3 GLU 43 -1.192 12.072 2.447 324 H ALA 44 HN ALA 44 -1.354 15.379 3.856 325 HA ALA 44 HA ALA 44 -2.715 16.276 2.429 326 HB1 ALA 44 HB1 ALA 44 -0.821 17.866 2.813 327 HB2 ALA 44 HB2 ALA 44 -0.073 17.302 1.302 328 HB3 ALA 44 HB3 ALA 44 -1.607 18.186 1.270 329 H GLY 45 HN GLY 45 -1.800 13.707 1.275 330 HA2 GLY 45 HA2 GLY 45 -3.433 13.466 -0.941 331 HA3 GLY 45 HA1 GLY 45 -1.894 14.002 -1.617 332 H HIS 46 HN HIS 46 0.066 12.621 -1.008 333 HA HIS 46 HA HIS 46 -0.257 10.032 0.094 334 HB2 HIS 46 HB2 HIS 46 0.181 8.682 -2.008 335 HB3 HIS 46 HB3 HIS 46 -1.427 9.126 -1.593 336 HD1 HIS 46 HD1 HIS 46 -2.772 10.821 -3.217 337 HD2 HIS 46 HD2 HIS 46 1.001 9.419 -4.247 338 HE1 HIS 46 HE1 HIS 46 -2.535 11.332 -5.697 339 H GLU 47 HN GLU 47 1.586 12.184 0.477 340 HA GLU 47 HA GLU 47 4.088 11.431 -0.905 341 HB2 GLU 47 HB2 GLU 47 3.570 13.422 1.344 342 HB3 GLU 47 HB3 GLU 47 5.101 13.158 0.510 343 HG2 GLU 47 HG2 GLU 47 2.543 14.282 -0.658 344 HG3 GLU 47 HG3 GLU 47 4.065 15.134 -0.410 345 H ASP 48 HN ASP 48 2.667 11.129 2.390 346 HA ASP 48 HA ASP 48 5.281 10.376 3.446 347 HB2 ASP 48 HB2 ASP 48 3.260 11.790 4.517 348 HB3 ASP 48 HB3 ASP 48 2.813 10.193 5.135 349 H VAL 49 HN VAL 49 2.305 8.800 2.460 350 HA VAL 49 HA VAL 49 2.910 6.130 3.273 351 HB VAL 49 HB VAL 49 1.346 7.359 0.941 352 HG11 VAL 49 HG11 VAL 49 1.998 5.135 0.134 353 HG12 VAL 49 HG12 VAL 49 1.474 4.396 1.667 354 HG13 VAL 49 HG13 VAL 49 0.300 5.141 0.589 355 HG21 VAL 49 HG21 VAL 49 0.491 5.872 3.440 356 HG22 VAL 49 HG22 VAL 49 0.432 7.616 3.269 357 HG23 VAL 49 HG23 VAL 49 -0.601 6.621 2.236 358 H MET 50 HN MET 50 3.881 8.043 0.382 359 HA MET 50 HA MET 50 5.201 5.793 -0.871 360 HB2 MET 50 HB2 MET 50 5.383 8.788 -1.350 361 HB3 MET 50 HB3 MET 50 6.296 7.601 -2.277 362 HG2 MET 50 HG2 MET 50 3.277 7.406 -2.102 363 HG3 MET 50 HG3 MET 50 4.073 8.517 -3.198 364 HE1 MET 50 HE1 MET 50 4.518 4.524 -2.324 365 HE2 MET 50 HE2 MET 50 2.828 5.029 -2.606 366 HE3 MET 50 HE3 MET 50 3.681 4.018 -3.798 367 H ARG 51 HN ARG 51 6.442 8.672 0.987 368 HA ARG 51 HA ARG 51 9.116 7.914 0.885 369 HB2 ARG 51 HB2 ARG 51 9.497 9.623 2.294 370 HB3 ARG 51 HB3 ARG 51 7.860 10.051 1.859 371 HG2 ARG 51 HG2 ARG 51 7.126 8.783 3.961 372 HG3 ARG 51 HG3 ARG 51 8.833 8.676 4.399 373 HD2 ARG 51 HD2 ARG 51 7.244 11.211 3.919 374 HD3 ARG 51 HD3 ARG 51 7.609 10.492 5.496 375 HE ARG 51 HE ARG 51 10.039 10.936 4.104 376 HH11 ARG 51 HH11 ARG 51 7.378 12.647 5.659 377 HH12 ARG 51 HH12 ARG 51 8.280 14.041 6.110 378 HH21 ARG 51 HH21 ARG 51 11.345 12.797 4.701 379 HH22 ARG 51 HH22 ARG 51 10.668 14.044 5.689 380 H LYS 52 HN LYS 52 6.580 6.747 3.116 381 HA LYS 52 HA LYS 52 8.168 5.343 4.926 382 HB2 LYS 52 HB2 LYS 52 5.679 5.642 5.059 383 HB3 LYS 52 HB3 LYS 52 5.485 4.411 3.840 384 HG2 LYS 52 HG2 LYS 52 6.944 3.918 6.465 385 HG3 LYS 52 HG3 LYS 52 5.199 3.733 6.294 386 HD2 LYS 52 HD2 LYS 52 5.526 2.028 4.524 387 HD3 LYS 52 HD3 LYS 52 7.278 2.114 4.749 388 HE2 LYS 52 HE2 LYS 52 5.285 1.221 6.824 389 HE3 LYS 52 HE3 LYS 52 6.390 0.201 5.889 390 HZ1 LYS 52 HZ1 LYS 52 6.971 2.021 8.079 391 HZ2 LYS 52 HZ2 LYS 52 8.187 1.690 6.979 392 HZ3 LYS 52 HZ3 LYS 52 7.475 0.481 7.835 393 H VAL 53 HN VAL 53 6.628 3.984 1.928 394 HA VAL 53 HA VAL 53 7.961 1.483 2.377 395 HB VAL 53 HB VAL 53 7.004 0.865 0.187 396 HG11 VAL 53 HG11 VAL 53 4.679 0.933 0.914 397 HG12 VAL 53 HG12 VAL 53 5.797 0.582 2.249 398 HG13 VAL 53 HG13 VAL 53 5.068 2.200 2.091 399 HG21 VAL 53 HG21 VAL 53 7.117 3.134 -0.936 400 HG22 VAL 53 HG22 VAL 53 5.544 2.330 -1.075 401 HG23 VAL 53 HG23 VAL 53 5.767 3.649 0.087 402 H LEU 54 HN LEU 54 8.753 4.350 0.528 403 HA LEU 54 HA LEU 54 10.714 3.152 -1.157 404 HB2 LEU 54 HB2 LEU 54 10.182 5.992 -0.204 405 HB3 LEU 54 HB3 LEU 54 11.464 5.601 -1.333 406 HG LEU 54 HG LEU 54 8.586 4.842 -1.917 407 HD11 LEU 54 HD11 LEU 54 10.092 7.351 -2.751 408 HD12 LEU 54 HD12 LEU 54 8.755 7.303 -1.599 409 HD13 LEU 54 HD13 LEU 54 8.460 6.878 -3.291 410 HD21 LEU 54 HD21 LEU 54 11.004 5.226 -3.734 411 HD22 LEU 54 HD22 LEU 54 9.365 4.756 -4.228 412 HD23 LEU 54 HD23 LEU 54 10.337 3.661 -3.241 413 H GLY 55 HN GLY 55 11.021 5.071 1.901 414 HA2 GLY 55 HA2 GLY 55 13.790 4.724 2.279 415 HA3 GLY 55 HA1 GLY 55 12.588 5.023 3.546 416 H ASP 56 HN ASP 56 11.004 2.778 3.487 417 HA ASP 56 HA ASP 56 12.617 0.872 4.874 418 HB2 ASP 56 HB2 ASP 56 9.724 0.981 4.006 419 HB3 ASP 56 HB3 ASP 56 10.397 -0.554 4.524 420 H LEU 57 HN LEU 57 11.739 1.061 1.412 421 HA LEU 57 HA LEU 57 12.650 -1.673 0.844 422 HB2 LEU 57 HB2 LEU 57 11.968 0.782 -0.811 423 HB3 LEU 57 HB3 LEU 57 12.928 -0.470 -1.522 424 HG LEU 57 HG LEU 57 10.047 -0.682 -0.645 425 HD11 LEU 57 HD11 LEU 57 9.754 -1.213 -3.016 426 HD12 LEU 57 HD12 LEU 57 11.512 -1.212 -3.258 427 HD13 LEU 57 HD13 LEU 57 10.690 0.302 -2.848 428 HD21 LEU 57 HD21 LEU 57 10.925 -2.785 0.089 429 HD22 LEU 57 HD22 LEU 57 11.883 -2.987 -1.392 430 HD23 LEU 57 HD23 LEU 57 10.109 -3.054 -1.444 431 H ASP 58 HN ASP 58 14.177 1.448 1.339 432 HA ASP 58 HA ASP 58 16.244 2.202 1.133 433 HB2 ASP 58 HB2 ASP 58 16.546 -0.144 2.407 434 HB3 ASP 58 HB3 ASP 58 17.470 -0.537 0.980 435 H GLY 59 HN GLY 59 14.799 1.914 -1.288 436 HA2 GLY 59 HA2 GLY 59 15.209 2.255 -3.563 437 HA3 GLY 59 HA1 GLY 59 16.938 2.147 -3.233 438 H LYS 60 HN LYS 60 14.998 -0.590 -2.190 439 HA LYS 60 HA LYS 60 16.188 -2.493 -3.840 440 HB2 LYS 60 HB2 LYS 60 13.972 -2.382 -1.969 441 HB3 LYS 60 HB3 LYS 60 13.619 -3.479 -3.281 442 HG2 LYS 60 HG2 LYS 60 15.875 -4.537 -2.862 443 HG3 LYS 60 HG3 LYS 60 15.983 -3.558 -1.367 444 HD2 LYS 60 HD2 LYS 60 14.366 -4.792 -0.304 445 HD3 LYS 60 HD3 LYS 60 13.445 -5.146 -1.761 446 HE2 LYS 60 HE2 LYS 60 16.174 -6.379 -1.312 447 HE3 LYS 60 HE3 LYS 60 14.726 -7.086 -0.583 448 HZ1 LYS 60 HZ1 LYS 60 14.957 -6.622 -3.495 449 HZ2 LYS 60 HZ2 LYS 60 13.811 -7.493 -2.693 450 HZ3 LYS 60 HZ3 LYS 60 15.360 -8.030 -2.740 451 H ARG 61 HN ARG 61 13.577 -0.314 -4.700 452 HA ARG 61 HA ARG 61 13.531 -1.399 -7.353 453 HB2 ARG 61 HB2 ARG 61 11.019 -1.274 -5.602 454 HB3 ARG 61 HB3 ARG 61 10.898 -1.098 -7.340 455 HG2 ARG 61 HG2 ARG 61 12.066 -3.537 -5.945 456 HG3 ARG 61 HG3 ARG 61 10.428 -3.397 -6.604 457 HD2 ARG 61 HD2 ARG 61 11.386 -2.978 -8.864 458 HD3 ARG 61 HD3 ARG 61 13.013 -3.223 -8.216 459 HE ARG 61 HE ARG 61 12.221 -5.498 -7.505 460 HH11 ARG 61 HH11 ARG 61 10.682 -4.007 -10.398 461 HH12 ARG 61 HH12 ARG 61 10.631 -5.521 -11.239 462 HH21 ARG 61 HH21 ARG 61 11.898 -7.378 -8.482 463 HH22 ARG 61 HH22 ARG 61 11.194 -7.545 -10.064 464 HA PRO 62 HA PRO 62 13.568 2.904 -8.150 465 HB2 PRO 62 HB2 PRO 62 12.082 3.064 -10.503 466 HB3 PRO 62 HB3 PRO 62 13.793 2.527 -10.413 467 HG2 PRO 62 HG2 PRO 62 11.303 0.869 -10.613 468 HG3 PRO 62 HG3 PRO 62 12.894 0.607 -11.401 469 HD2 PRO 62 HD2 PRO 62 12.121 -0.764 -9.203 470 HD3 PRO 62 HD3 PRO 62 13.819 -0.282 -9.464 471 H GLU 63 HN GLU 63 12.384 4.707 -7.570 472 HA GLU 63 HA GLU 63 9.884 4.472 -6.402 473 HB2 GLU 63 HB2 GLU 63 11.383 6.335 -6.000 474 HB3 GLU 63 HB3 GLU 63 11.131 6.957 -7.634 475 HG2 GLU 63 HG2 GLU 63 8.832 7.474 -7.202 476 HG3 GLU 63 HG3 GLU 63 8.777 6.476 -5.756 477 H ALA 64 HN ALA 64 10.618 5.130 -9.802 478 HA ALA 64 HA ALA 64 8.078 5.857 -10.730 479 HB1 ALA 64 HB1 ALA 64 9.962 5.910 -12.238 480 HB2 ALA 64 HB2 ALA 64 10.181 4.140 -12.120 481 HB3 ALA 64 HB3 ALA 64 8.746 4.821 -12.917 482 H GLU 65 HN GLU 65 9.309 2.455 -10.264 483 HA GLU 65 HA GLU 65 6.942 1.150 -11.140 484 HB2 GLU 65 HB2 GLU 65 9.196 0.164 -11.012 485 HB3 GLU 65 HB3 GLU 65 9.182 0.275 -9.247 486 HG2 GLU 65 HG2 GLU 65 7.321 -1.278 -9.123 487 HG3 GLU 65 HG3 GLU 65 7.139 -1.244 -10.865 488 H VAL 66 HN VAL 66 8.136 2.232 -7.953 489 HA VAL 66 HA VAL 66 6.089 1.126 -6.349 490 HB VAL 66 HB VAL 66 7.880 3.551 -5.910 491 HG11 VAL 66 HG11 VAL 66 6.043 3.647 -4.319 492 HG12 VAL 66 HG12 VAL 66 6.316 1.944 -3.863 493 HG13 VAL 66 HG13 VAL 66 7.533 3.183 -3.499 494 HG21 VAL 66 HG21 VAL 66 9.347 2.033 -4.696 495 HG22 VAL 66 HG22 VAL 66 8.234 0.674 -4.966 496 HG23 VAL 66 HG23 VAL 66 9.124 1.401 -6.312 497 H ARG 67 HN ARG 67 6.298 4.412 -7.834 498 HA ARG 67 HA ARG 67 3.881 5.420 -6.721 499 HB2 ARG 67 HB2 ARG 67 4.815 6.113 -9.553 500 HB3 ARG 67 HB3 ARG 67 3.814 7.058 -8.459 501 HG2 ARG 67 HG2 ARG 67 6.168 6.719 -7.038 502 HG3 ARG 67 HG3 ARG 67 6.747 6.819 -8.695 503 HD2 ARG 67 HD2 ARG 67 6.467 9.017 -8.836 504 HD3 ARG 67 HD3 ARG 67 4.806 8.937 -8.249 505 HE ARG 67 HE ARG 67 7.225 8.951 -6.462 506 HH11 ARG 67 HH11 ARG 67 4.049 10.449 -7.146 507 HH12 ARG 67 HH12 ARG 67 3.883 10.937 -5.471 508 HH21 ARG 67 HH21 ARG 67 6.962 9.646 -4.449 509 HH22 ARG 67 HH22 ARG 67 5.483 10.507 -3.948 510 H ALA 68 HN ALA 68 4.480 3.928 -9.829 511 HA ALA 68 HA ALA 68 1.809 3.975 -10.817 512 HB1 ALA 68 HB1 ALA 68 3.714 3.529 -12.288 513 HB2 ALA 68 HB2 ALA 68 4.011 1.968 -11.476 514 HB3 ALA 68 HB3 ALA 68 2.519 2.225 -12.404 515 H LYS 69 HN LYS 69 3.525 1.412 -8.967 516 HA LYS 69 HA LYS 69 1.481 -0.471 -8.909 517 HB2 LYS 69 HB2 LYS 69 3.902 -0.604 -7.932 518 HB3 LYS 69 HB3 LYS 69 3.215 0.108 -6.475 519 HG2 LYS 69 HG2 LYS 69 3.050 -2.201 -6.069 520 HG3 LYS 69 HG3 LYS 69 1.427 -1.804 -6.621 521 HD2 LYS 69 HD2 LYS 69 2.215 -2.474 -8.996 522 HD3 LYS 69 HD3 LYS 69 3.725 -2.978 -8.254 523 HE2 LYS 69 HE2 LYS 69 2.315 -4.882 -8.647 524 HE3 LYS 69 HE3 LYS 69 2.568 -4.644 -6.917 525 HZ1 LYS 69 HZ1 LYS 69 0.280 -5.185 -7.768 526 HZ2 LYS 69 HZ2 LYS 69 0.152 -3.601 -8.221 527 HZ3 LYS 69 HZ3 LYS 69 0.389 -3.988 -6.627 528 H TYR 70 HN TYR 70 2.036 2.166 -6.523 529 HA TYR 70 HA TYR 70 -0.218 1.545 -4.899 530 HB2 TYR 70 HB2 TYR 70 1.767 2.863 -4.213 531 HB3 TYR 70 HB3 TYR 70 1.283 4.169 -5.279 532 HD1 TYR 70 HD1 TYR 70 -0.108 2.068 -2.441 533 HD2 TYR 70 HD2 TYR 70 0.091 5.955 -4.339 534 HE1 TYR 70 HE1 TYR 70 -1.481 3.070 -0.611 535 HE2 TYR 70 HE2 TYR 70 -1.259 6.930 -2.550 536 HH TYR 70 HH TYR 70 -2.249 6.464 -0.244 537 H GLU 71 HN GLU 71 0.228 3.941 -7.526 538 HA GLU 71 HA GLU 71 -2.316 5.136 -7.452 539 HB2 GLU 71 HB2 GLU 71 -0.173 4.740 -9.561 540 HB3 GLU 71 HB3 GLU 71 -1.700 5.486 -10.012 541 HG2 GLU 71 HG2 GLU 71 -0.166 6.569 -7.632 542 HG3 GLU 71 HG3 GLU 71 0.314 6.985 -9.284 543 H GLY 72 HN GLY 72 -1.194 2.369 -9.487 544 HA2 GLY 72 HA2 GLY 72 -3.658 1.867 -10.797 545 HA3 GLY 72 HA1 GLY 72 -2.343 0.714 -10.535 546 H LEU 73 HN LEU 73 -2.569 1.097 -7.548 547 HA LEU 73 HA LEU 73 -4.241 -1.133 -7.144 548 HB2 LEU 73 HB2 LEU 73 -2.148 -0.012 -5.791 549 HB3 LEU 73 HB3 LEU 73 -3.459 0.536 -4.782 550 HG LEU 73 HG LEU 73 -4.174 -1.795 -4.321 551 HD11 LEU 73 HD11 LEU 73 -1.854 -2.605 -6.175 552 HD12 LEU 73 HD12 LEU 73 -3.557 -2.966 -6.469 553 HD13 LEU 73 HD13 LEU 73 -2.737 -3.697 -5.091 554 HD21 LEU 73 HD21 LEU 73 -1.960 -2.472 -3.301 555 HD22 LEU 73 HD22 LEU 73 -2.290 -0.745 -3.043 556 HD23 LEU 73 HD23 LEU 73 -1.122 -1.282 -4.251 557 H MET 74 HN MET 74 -5.111 2.255 -7.066 558 HA MET 74 HA MET 74 -7.157 2.141 -5.106 559 HB2 MET 74 HB2 MET 74 -6.414 4.229 -6.160 560 HB3 MET 74 HB3 MET 74 -7.112 3.727 -7.711 561 HG2 MET 74 HG2 MET 74 -9.358 3.670 -6.709 562 HG3 MET 74 HG3 MET 74 -8.700 4.088 -5.130 563 HE1 MET 74 HE1 MET 74 -8.013 6.447 -4.375 564 HE2 MET 74 HE2 MET 74 -6.693 6.442 -5.565 565 HE3 MET 74 HE3 MET 74 -7.791 7.832 -5.466 566 H ALA 75 HN ALA 75 -7.263 1.269 -8.592 567 HA ALA 75 HA ALA 75 -10.041 0.544 -8.567 568 HB1 ALA 75 HB1 ALA 75 -9.560 -0.446 -10.739 569 HB2 ALA 75 HB2 ALA 75 -8.743 1.123 -10.624 570 HB3 ALA 75 HB3 ALA 75 -7.821 -0.392 -10.422 571 H VAL 76 HN VAL 76 -7.010 -1.325 -8.031 572 HA VAL 76 HA VAL 76 -8.288 -3.889 -7.976 573 HB VAL 76 HB VAL 76 -5.753 -3.204 -6.453 574 HG11 VAL 76 HG11 VAL 76 -5.158 -5.552 -7.231 575 HG12 VAL 76 HG12 VAL 76 -6.526 -5.473 -6.104 576 HG13 VAL 76 HG13 VAL 76 -6.805 -5.707 -7.842 577 HG21 VAL 76 HG21 VAL 76 -4.441 -3.715 -8.509 578 HG22 VAL 76 HG22 VAL 76 -5.938 -3.779 -9.441 579 HG23 VAL 76 HG23 VAL 76 -5.407 -2.255 -8.720 580 H ALA 77 HN ALA 77 -7.517 -1.462 -5.457 581 HA ALA 77 HA ALA 77 -8.127 -2.919 -3.194 582 HB1 ALA 77 HB1 ALA 77 -8.602 0.049 -3.683 583 HB2 ALA 77 HB2 ALA 77 -8.549 -0.744 -2.109 584 HB3 ALA 77 HB3 ALA 77 -7.092 -0.708 -3.124 585 H LYS 78 HN LYS 78 -10.189 -0.961 -5.342 586 HA LYS 78 HA LYS 78 -12.705 -1.392 -3.976 587 HB2 LYS 78 HB2 LYS 78 -12.012 -0.567 -6.838 588 HB3 LYS 78 HB3 LYS 78 -13.662 -0.805 -6.265 589 HG2 LYS 78 HG2 LYS 78 -13.270 0.937 -4.484 590 HG3 LYS 78 HG3 LYS 78 -11.662 1.227 -5.181 591 HD2 LYS 78 HD2 LYS 78 -13.176 2.878 -6.098 592 HD3 LYS 78 HD3 LYS 78 -12.770 1.743 -7.386 593 HE2 LYS 78 HE2 LYS 78 -14.932 0.520 -6.954 594 HE3 LYS 78 HE3 LYS 78 -15.314 1.682 -5.676 595 HZ1 LYS 78 HZ1 LYS 78 -14.986 2.246 -8.539 596 HZ2 LYS 78 HZ2 LYS 78 -15.243 3.412 -7.403 597 HZ3 LYS 78 HZ3 LYS 78 -16.395 2.227 -7.703 598 H ALA 79 HN ALA 79 -11.083 -3.100 -6.684 599 HA ALA 79 HA ALA 79 -13.225 -4.810 -7.337 600 HB1 ALA 79 HB1 ALA 79 -11.560 -6.271 -8.306 601 HB2 ALA 79 HB2 ALA 79 -11.044 -4.597 -8.615 602 HB3 ALA 79 HB3 ALA 79 -10.262 -5.553 -7.345 603 H GLN 80 HN GLN 80 -10.563 -5.264 -4.948 604 HA GLN 80 HA GLN 80 -11.496 -7.787 -4.039 605 HB2 GLN 80 HB2 GLN 80 -9.766 -5.679 -2.673 606 HB3 GLN 80 HB3 GLN 80 -10.127 -7.279 -2.012 607 HG2 GLN 80 HG2 GLN 80 -9.292 -8.178 -4.353 608 HG3 GLN 80 HG3 GLN 80 -8.559 -6.585 -4.526 609 HE21 GLN 80 HE21 GLN 80 -6.585 -8.251 -4.644 610 HE22 GLN 80 HE22 GLN 80 -5.859 -8.584 -3.095 611 H LEU 81 HN LEU 81 -12.542 -4.553 -3.054 612 HA LEU 81 HA LEU 81 -13.980 -5.517 -0.676 613 HB2 LEU 81 HB2 LEU 81 -14.057 -2.957 -2.337 614 HB3 LEU 81 HB3 LEU 81 -15.040 -3.164 -0.901 615 HG LEU 81 HG LEU 81 -12.007 -3.342 -0.769 616 HD11 LEU 81 HD11 LEU 81 -13.847 -0.912 -0.663 617 HD12 LEU 81 HD12 LEU 81 -12.533 -1.214 -1.817 618 HD13 LEU 81 HD13 LEU 81 -12.148 -0.949 -0.108 619 HD21 LEU 81 HD21 LEU 81 -14.093 -2.502 1.293 620 HD22 LEU 81 HD22 LEU 81 -12.343 -2.674 1.557 621 HD23 LEU 81 HD23 LEU 81 -13.326 -4.095 1.192 622 H MET 82 HN MET 82 -14.716 -5.278 -4.123 623 HA MET 82 HA MET 82 -17.607 -5.754 -3.673 624 HB2 MET 82 HB2 MET 82 -15.862 -6.180 -6.136 625 HB3 MET 82 HB3 MET 82 -17.617 -6.274 -6.084 626 HG2 MET 82 HG2 MET 82 -16.117 -3.745 -5.290 627 HG3 MET 82 HG3 MET 82 -16.487 -4.116 -6.945 628 HE1 MET 82 HE1 MET 82 -18.109 -3.783 -3.343 629 HE2 MET 82 HE2 MET 82 -18.027 -2.081 -3.845 630 HE3 MET 82 HE3 MET 82 -19.592 -2.889 -3.744 631 H ASP 83 HN ASP 83 -14.698 -7.549 -4.608 632 HA ASP 83 HA ASP 83 -15.968 -10.064 -4.856 633 HB2 ASP 83 HB2 ASP 83 -14.123 -9.139 -6.202 634 HB3 ASP 83 HB3 ASP 83 -13.059 -9.217 -4.800 635 H GLU 84 HN GLU 84 -14.638 -8.514 -2.050 636 HA GLU 84 HA GLU 84 -13.791 -10.732 -0.549 637 HB2 GLU 84 HB2 GLU 84 -13.995 -9.353 1.413 638 HB3 GLU 84 HB3 GLU 84 -13.318 -8.412 0.122 639 HG2 GLU 84 HG2 GLU 84 -15.374 -7.240 -0.217 640 HG3 GLU 84 HG3 GLU 84 -16.287 -8.445 0.646 641 H LEU 85 HN LEU 85 -16.961 -9.910 -1.355 642 HA LEU 85 HA LEU 85 -18.243 -10.471 1.054 643 HB2 LEU 85 HB2 LEU 85 -19.096 -9.627 -1.486 644 HB3 LEU 85 HB3 LEU 85 -19.973 -11.125 -1.258 645 HG LEU 85 HG LEU 85 -21.263 -9.183 -0.521 646 HD11 LEU 85 HD11 LEU 85 -21.997 -9.890 1.647 647 HD12 LEU 85 HD12 LEU 85 -20.488 -10.787 1.926 648 HD13 LEU 85 HD13 LEU 85 -21.613 -11.319 0.661 649 HD21 LEU 85 HD21 LEU 85 -19.392 -7.695 0.082 650 HD22 LEU 85 HD22 LEU 85 -19.125 -8.626 1.556 651 HD23 LEU 85 HD23 LEU 85 -20.648 -7.763 1.338 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -20.442 4.550 0.438 2 HA2 GLY 1 HA2 GLY 1 -19.612 6.624 -0.619 3 HA3 GLY 1 HA1 GLY 1 -18.804 6.983 0.922 4 H MET 2 HN MET 2 -17.279 6.786 -1.450 5 HA MET 2 HA MET 2 -16.036 4.085 -1.245 6 HB2 MET 2 HB2 MET 2 -15.820 4.060 -3.643 7 HB3 MET 2 HB3 MET 2 -17.500 4.182 -3.165 8 HG2 MET 2 HG2 MET 2 -15.892 6.634 -3.968 9 HG3 MET 2 HG3 MET 2 -16.638 5.585 -5.161 10 HE1 MET 2 HE1 MET 2 -19.031 5.406 -5.775 11 HE2 MET 2 HE2 MET 2 -19.452 4.745 -4.177 12 HE3 MET 2 HE3 MET 2 -20.384 6.091 -4.853 13 H GLN 3 HN GLN 3 -15.012 6.240 0.251 14 HA GLN 3 HA GLN 3 -12.396 6.604 -1.164 15 HB2 GLN 3 HB2 GLN 3 -14.116 8.506 0.362 16 HB3 GLN 3 HB3 GLN 3 -12.393 8.596 0.670 17 HG2 GLN 3 HG2 GLN 3 -12.987 10.183 -1.031 18 HG3 GLN 3 HG3 GLN 3 -11.911 8.968 -1.701 19 HE21 GLN 3 HE21 GLN 3 -12.514 9.218 -3.900 20 HE22 GLN 3 HE22 GLN 3 -14.145 8.900 -4.472 21 H PHE 4 HN PHE 4 -13.852 5.299 1.609 22 HA PHE 4 HA PHE 4 -11.472 5.611 3.366 23 HB2 PHE 4 HB2 PHE 4 -14.318 5.870 3.738 24 HB3 PHE 4 HB3 PHE 4 -13.762 4.553 4.746 25 HD1 PHE 4 HD1 PHE 4 -11.966 7.755 3.812 26 HD2 PHE 4 HD2 PHE 4 -13.861 5.444 6.935 27 HE1 PHE 4 HE1 PHE 4 -11.188 9.362 5.472 28 HE2 PHE 4 HE2 PHE 4 -13.133 7.136 8.606 29 HZ PHE 4 HZ PHE 4 -11.795 9.099 7.882 30 H LYS 5 HN LYS 5 -14.048 3.309 2.500 31 HA LYS 5 HA LYS 5 -12.994 0.950 3.533 32 HB2 LYS 5 HB2 LYS 5 -14.799 1.669 1.213 33 HB3 LYS 5 HB3 LYS 5 -14.214 0.011 1.336 34 HG2 LYS 5 HG2 LYS 5 -15.593 1.427 3.653 35 HG3 LYS 5 HG3 LYS 5 -16.408 0.433 2.458 36 HD2 LYS 5 HD2 LYS 5 -15.955 -1.410 3.635 37 HD3 LYS 5 HD3 LYS 5 -14.257 -1.188 3.303 38 HE2 LYS 5 HE2 LYS 5 -13.846 -0.880 5.455 39 HE3 LYS 5 HE3 LYS 5 -14.785 0.615 5.431 40 HZ1 LYS 5 HZ1 LYS 5 -15.816 -2.120 5.946 41 HZ2 LYS 5 HZ2 LYS 5 -16.764 -0.779 5.940 42 HZ3 LYS 5 HZ3 LYS 5 -15.579 -0.988 7.088 43 H ALA 6 HN ALA 6 -12.348 2.432 0.308 44 HA ALA 6 HA ALA 6 -10.249 0.498 -0.180 45 HB1 ALA 6 HB1 ALA 6 -11.638 1.337 -2.058 46 HB2 ALA 6 HB2 ALA 6 -10.962 2.973 -1.786 47 HB3 ALA 6 HB3 ALA 6 -9.913 1.646 -2.304 48 H GLU 7 HN GLU 7 -10.263 3.813 1.262 49 HA GLU 7 HA GLU 7 -7.608 4.478 0.677 50 HB2 GLU 7 HB2 GLU 7 -9.630 5.140 2.694 51 HB3 GLU 7 HB3 GLU 7 -8.090 5.029 3.482 52 HG2 GLU 7 HG2 GLU 7 -7.135 6.791 2.224 53 HG3 GLU 7 HG3 GLU 7 -8.377 6.650 0.979 54 H ALA 8 HN ALA 8 -8.742 2.489 3.390 55 HA ALA 8 HA ALA 8 -6.199 1.546 4.242 56 HB1 ALA 8 HB1 ALA 8 -8.087 1.282 5.678 57 HB2 ALA 8 HB2 ALA 8 -8.970 0.360 4.448 58 HB3 ALA 8 HB3 ALA 8 -7.533 -0.342 5.237 59 H ARG 9 HN ARG 9 -8.533 -0.103 2.002 60 HA ARG 9 HA ARG 9 -6.810 -2.336 1.773 61 HB2 ARG 9 HB2 ARG 9 -9.386 -1.861 1.008 62 HB3 ARG 9 HB3 ARG 9 -8.578 -1.795 -0.543 63 HG2 ARG 9 HG2 ARG 9 -8.768 -4.097 1.395 64 HG3 ARG 9 HG3 ARG 9 -9.392 -3.989 -0.253 65 HD2 ARG 9 HD2 ARG 9 -7.008 -3.942 -1.080 66 HD3 ARG 9 HD3 ARG 9 -6.476 -4.296 0.570 67 HE ARG 9 HE ARG 9 -7.311 -6.166 -1.374 68 HH11 ARG 9 HH11 ARG 9 -7.963 -5.712 2.143 69 HH12 ARG 9 HH12 ARG 9 -8.301 -7.410 2.284 70 HH21 ARG 9 HH21 ARG 9 -7.564 -8.342 -0.950 71 HH22 ARG 9 HH22 ARG 9 -8.041 -8.852 0.649 72 H ARG 10 HN ARG 10 -6.810 0.708 -0.071 73 HA ARG 10 HA ARG 10 -5.123 -0.009 -2.236 74 HB2 ARG 10 HB2 ARG 10 -6.249 2.405 -1.345 75 HB3 ARG 10 HB3 ARG 10 -4.587 2.629 -0.886 76 HG2 ARG 10 HG2 ARG 10 -4.019 1.923 -3.337 77 HG3 ARG 10 HG3 ARG 10 -5.734 2.223 -3.655 78 HD2 ARG 10 HD2 ARG 10 -3.553 4.111 -2.791 79 HD3 ARG 10 HD3 ARG 10 -4.616 4.266 -4.196 80 HE ARG 10 HE ARG 10 -6.110 4.310 -1.769 81 HH11 ARG 10 HH11 ARG 10 -4.218 6.543 -3.849 82 HH12 ARG 10 HH12 ARG 10 -4.634 7.926 -2.891 83 HH21 ARG 10 HH21 ARG 10 -6.401 6.273 -0.382 84 HH22 ARG 10 HH22 ARG 10 -5.798 7.764 -1.013 85 H ASN 11 HN ASN 11 -4.281 1.439 0.922 86 HA ASN 11 HA ASN 11 -1.513 1.124 0.638 87 HB2 ASN 11 HB2 ASN 11 -3.354 1.546 3.032 88 HB3 ASN 11 HB3 ASN 11 -1.605 1.392 3.210 89 HD21 ASN 11 HD21 ASN 11 -4.175 3.609 2.221 90 HD22 ASN 11 HD22 ASN 11 -3.055 4.849 1.705 91 H LYS 12 HN LYS 12 -3.945 -1.064 2.056 92 HA LYS 12 HA LYS 12 -2.142 -2.904 3.222 93 HB2 LYS 12 HB2 LYS 12 -4.619 -2.664 3.627 94 HB3 LYS 12 HB3 LYS 12 -4.910 -3.524 2.107 95 HG2 LYS 12 HG2 LYS 12 -3.875 -5.502 2.921 96 HG3 LYS 12 HG3 LYS 12 -3.173 -4.672 4.310 97 HD2 LYS 12 HD2 LYS 12 -5.521 -4.216 5.164 98 HD3 LYS 12 HD3 LYS 12 -6.115 -5.218 3.828 99 HE2 LYS 12 HE2 LYS 12 -6.055 -6.492 5.914 100 HE3 LYS 12 HE3 LYS 12 -4.969 -7.179 4.714 101 HZ1 LYS 12 HZ1 LYS 12 -4.133 -5.491 7.011 102 HZ2 LYS 12 HZ2 LYS 12 -3.128 -6.141 5.849 103 HZ3 LYS 12 HZ3 LYS 12 -3.950 -7.106 6.861 104 H LEU 13 HN LEU 13 -3.760 -3.122 -0.033 105 HA LEU 13 HA LEU 13 -2.335 -5.382 -0.987 106 HB2 LEU 13 HB2 LEU 13 -3.671 -2.991 -2.272 107 HB3 LEU 13 HB3 LEU 13 -2.648 -4.048 -3.246 108 HG LEU 13 HG LEU 13 -5.017 -5.084 -1.695 109 HD11 LEU 13 HD11 LEU 13 -6.130 -5.147 -3.877 110 HD12 LEU 13 HD12 LEU 13 -4.682 -4.502 -4.675 111 HD13 LEU 13 HD13 LEU 13 -5.592 -3.489 -3.540 112 HD21 LEU 13 HD21 LEU 13 -3.388 -6.830 -2.048 113 HD22 LEU 13 HD22 LEU 13 -3.052 -6.291 -3.706 114 HD23 LEU 13 HD23 LEU 13 -4.603 -7.031 -3.297 115 H MET 14 HN MET 14 -1.454 -1.838 -1.092 116 HA MET 14 HA MET 14 0.872 -2.220 -2.575 117 HB2 MET 14 HB2 MET 14 -0.271 -0.048 -1.981 118 HB3 MET 14 HB3 MET 14 0.446 -0.151 -0.368 119 HG2 MET 14 HG2 MET 14 1.796 1.257 -1.815 120 HG3 MET 14 HG3 MET 14 2.705 -0.177 -1.356 121 HE1 MET 14 HE1 MET 14 4.049 0.799 -4.868 122 HE2 MET 14 HE2 MET 14 3.444 1.885 -3.595 123 HE3 MET 14 HE3 MET 14 4.439 0.481 -3.162 124 H GLY 15 HN GLY 15 0.465 -2.143 1.000 125 HA2 GLY 15 HA2 GLY 15 3.073 -2.648 1.766 126 HA3 GLY 15 HA1 GLY 15 1.636 -3.147 2.677 127 H LEU 16 HN LEU 16 0.512 -5.090 0.963 128 HA LEU 16 HA LEU 16 2.059 -7.376 1.502 129 HB2 LEU 16 HB2 LEU 16 -0.198 -6.813 -0.459 130 HB3 LEU 16 HB3 LEU 16 0.539 -8.396 -0.335 131 HG LEU 16 HG LEU 16 -0.773 -6.950 1.996 132 HD11 LEU 16 HD11 LEU 16 -2.551 -8.750 1.625 133 HD12 LEU 16 HD12 LEU 16 -1.808 -9.029 0.043 134 HD13 LEU 16 HD13 LEU 16 -2.487 -7.441 0.441 135 HD21 LEU 16 HD21 LEU 16 0.456 -9.717 1.719 136 HD22 LEU 16 HD22 LEU 16 -0.735 -9.340 2.979 137 HD23 LEU 16 HD23 LEU 16 0.799 -8.478 2.928 138 H TRP 17 HN TRP 17 1.780 -5.547 -1.596 139 HA TRP 17 HA TRP 17 3.540 -7.269 -3.058 140 HB2 TRP 17 HB2 TRP 17 2.110 -5.727 -4.221 141 HB3 TRP 17 HB3 TRP 17 2.830 -4.340 -3.401 142 HD1 TRP 17 HD1 TRP 17 4.015 -7.154 -5.794 143 HE1 TRP 17 HE1 TRP 17 5.811 -6.160 -7.394 144 HE3 TRP 17 HE3 TRP 17 4.384 -2.419 -3.863 145 HZ2 TRP 17 HZ2 TRP 17 7.231 -3.722 -7.717 146 HZ3 TRP 17 HZ3 TRP 17 6.049 -0.823 -4.770 147 HH2 TRP 17 HH2 TRP 17 7.474 -1.471 -6.717 148 H VAL 18 HN VAL 18 4.226 -4.227 -1.236 149 HA VAL 18 HA VAL 18 6.987 -4.179 -1.842 150 HB VAL 18 HB VAL 18 5.547 -3.194 0.628 151 HG11 VAL 18 HG11 VAL 18 7.397 -1.495 0.764 152 HG12 VAL 18 HG12 VAL 18 7.951 -3.134 1.032 153 HG13 VAL 18 HG13 VAL 18 8.242 -2.360 -0.537 154 HG21 VAL 18 HG21 VAL 18 4.827 -2.319 -1.791 155 HG22 VAL 18 HG22 VAL 18 4.924 -1.285 -0.401 156 HG23 VAL 18 HG23 VAL 18 6.252 -1.307 -1.602 157 H ALA 19 HN ALA 19 5.233 -5.737 0.900 158 HA ALA 19 HA ALA 19 7.445 -6.885 2.258 159 HB1 ALA 19 HB1 ALA 19 5.792 -8.430 3.149 160 HB2 ALA 19 HB2 ALA 19 5.141 -6.785 3.129 161 HB3 ALA 19 HB3 ALA 19 4.628 -7.969 1.909 162 H GLU 20 HN GLU 20 5.593 -8.190 -0.480 163 HA GLU 20 HA GLU 20 7.142 -10.578 -0.771 164 HB2 GLU 20 HB2 GLU 20 5.100 -10.677 -1.689 165 HB3 GLU 20 HB3 GLU 20 5.088 -9.020 -2.266 166 HG2 GLU 20 HG2 GLU 20 6.542 -9.637 -4.149 167 HG3 GLU 20 HG3 GLU 20 6.541 -11.323 -3.594 168 H VAL 21 HN VAL 21 7.631 -7.252 -2.104 169 HA VAL 21 HA VAL 21 9.936 -8.023 -3.672 170 HB VAL 21 HB VAL 21 8.958 -5.315 -2.693 171 HG11 VAL 21 HG11 VAL 21 11.338 -5.096 -3.208 172 HG12 VAL 21 HG12 VAL 21 11.116 -5.969 -4.743 173 HG13 VAL 21 HG13 VAL 21 10.382 -4.366 -4.501 174 HG21 VAL 21 HG21 VAL 21 8.821 -6.574 -5.466 175 HG22 VAL 21 HG22 VAL 21 7.462 -6.550 -4.340 176 HG23 VAL 21 HG23 VAL 21 8.118 -5.031 -4.950 177 H LEU 22 HN LEU 22 9.556 -7.014 -0.231 178 HA LEU 22 HA LEU 22 12.447 -7.082 0.221 179 HB2 LEU 22 HB2 LEU 22 9.983 -6.588 1.902 180 HB3 LEU 22 HB3 LEU 22 11.487 -7.047 2.684 181 HG LEU 22 HG LEU 22 12.685 -5.171 1.609 182 HD11 LEU 22 HD11 LEU 22 9.942 -4.251 0.701 183 HD12 LEU 22 HD12 LEU 22 11.262 -4.752 -0.365 184 HD13 LEU 22 HD13 LEU 22 11.430 -3.298 0.645 185 HD21 LEU 22 HD21 LEU 22 10.210 -4.368 3.176 186 HD22 LEU 22 HD22 LEU 22 11.651 -3.376 2.969 187 HD23 LEU 22 HD23 LEU 22 11.745 -4.907 3.878 188 H GLY 23 HN GLY 23 10.368 -9.555 -0.552 189 HA2 GLY 23 HA2 GLY 23 10.519 -11.803 -0.304 190 HA3 GLY 23 HA1 GLY 23 12.148 -11.573 0.365 191 H LYS 24 HN LYS 24 9.362 -10.025 1.872 192 HA LYS 24 HA LYS 24 9.621 -11.590 4.363 193 HB2 LYS 24 HB2 LYS 24 7.633 -9.529 3.350 194 HB3 LYS 24 HB3 LYS 24 7.460 -10.317 4.904 195 HG2 LYS 24 HG2 LYS 24 9.568 -9.360 5.698 196 HG3 LYS 24 HG3 LYS 24 9.898 -8.667 4.104 197 HD2 LYS 24 HD2 LYS 24 7.888 -7.254 4.291 198 HD3 LYS 24 HD3 LYS 24 7.523 -7.912 5.879 199 HE2 LYS 24 HE2 LYS 24 10.310 -6.910 5.604 200 HE3 LYS 24 HE3 LYS 24 9.111 -5.662 5.269 201 HZ1 LYS 24 HZ1 LYS 24 8.185 -5.984 7.452 202 HZ2 LYS 24 HZ2 LYS 24 9.799 -5.789 7.613 203 HZ3 LYS 24 HZ3 LYS 24 9.065 -7.279 7.754 204 H SER 25 HN SER 25 7.384 -12.639 5.115 205 HA SER 25 HA SER 25 5.784 -13.663 2.935 206 HB2 SER 25 HB2 SER 25 6.143 -16.060 3.781 207 HB3 SER 25 HB3 SER 25 7.428 -15.352 2.801 208 HG SER 25 HG SER 25 8.184 -16.473 4.629 209 H GLY 26 HN GLY 26 4.031 -15.091 3.945 210 HA2 GLY 26 HA2 GLY 26 2.258 -15.257 5.374 211 HA3 GLY 26 HA1 GLY 26 3.561 -15.613 6.503 212 H ASP 27 HN ASP 27 3.517 -14.487 8.299 213 HA ASP 27 HA ASP 27 1.586 -12.296 8.448 214 HB2 ASP 27 HB2 ASP 27 2.926 -14.096 10.427 215 HB3 ASP 27 HB3 ASP 27 2.278 -12.554 10.957 216 H GLU 28 HN GLU 28 5.045 -12.572 8.372 217 HA GLU 28 HA GLU 28 5.676 -10.011 9.394 218 HB2 GLU 28 HB2 GLU 28 6.900 -12.107 7.742 219 HB3 GLU 28 HB3 GLU 28 7.273 -10.538 7.069 220 HG2 GLU 28 HG2 GLU 28 7.649 -11.154 10.012 221 HG3 GLU 28 HG3 GLU 28 8.820 -11.567 8.786 222 H ALA 29 HN ALA 29 4.647 -11.159 6.151 223 HA ALA 29 HA ALA 29 4.503 -8.552 4.965 224 HB1 ALA 29 HB1 ALA 29 3.238 -9.676 3.173 225 HB2 ALA 29 HB2 ALA 29 4.637 -10.663 3.648 226 HB3 ALA 29 HB3 ALA 29 3.006 -11.103 4.196 227 H ASN 30 HN ASN 30 2.310 -10.280 7.009 228 HA ASN 30 HA ASN 30 -0.078 -8.693 6.335 229 HB2 ASN 30 HB2 ASN 30 0.421 -10.531 8.717 230 HB3 ASN 30 HB3 ASN 30 -1.078 -9.676 8.407 231 HD21 ASN 30 HD21 ASN 30 -0.569 -12.683 8.503 232 HD22 ASN 30 HD22 ASN 30 -0.902 -13.237 6.873 233 H ALA 31 HN ALA 31 2.401 -8.743 8.908 234 HA ALA 31 HA ALA 31 1.378 -6.538 10.431 235 HB1 ALA 31 HB1 ALA 31 2.969 -8.137 11.395 236 HB2 ALA 31 HB2 ALA 31 4.183 -7.732 10.161 237 HB3 ALA 31 HB3 ALA 31 3.702 -6.515 11.351 238 H TYR 32 HN TYR 32 3.726 -6.857 7.761 239 HA TYR 32 HA TYR 32 4.525 -4.137 7.663 240 HB2 TYR 32 HB2 TYR 32 5.605 -6.069 6.426 241 HB3 TYR 32 HB3 TYR 32 4.257 -6.072 5.318 242 HD1 TYR 32 HD1 TYR 32 7.278 -4.189 6.482 243 HD2 TYR 32 HD2 TYR 32 3.953 -4.218 3.739 244 HE1 TYR 32 HE1 TYR 32 8.203 -2.230 5.378 245 HE2 TYR 32 HE2 TYR 32 4.974 -2.282 2.526 246 HH TYR 32 HH TYR 32 7.651 -0.471 3.971 247 H ALA 33 HN ALA 33 1.962 -5.867 5.883 248 HA ALA 33 HA ALA 33 0.750 -3.573 4.706 249 HB1 ALA 33 HB1 ALA 33 -0.404 -6.332 5.256 250 HB2 ALA 33 HB2 ALA 33 -0.979 -5.148 4.052 251 HB3 ALA 33 HB3 ALA 33 0.602 -5.899 3.844 252 H ALA 34 HN ALA 34 1.020 -3.750 7.875 253 HA ALA 34 HA ALA 34 -1.676 -2.571 8.337 254 HB1 ALA 34 HB1 ALA 34 0.207 -3.661 10.443 255 HB2 ALA 34 HB2 ALA 34 -1.398 -2.965 10.700 256 HB3 ALA 34 HB3 ALA 34 -1.227 -4.503 9.825 257 H GLU 35 HN GLU 35 1.927 -2.166 8.848 258 HA GLU 35 HA GLU 35 1.694 0.446 9.995 259 HB2 GLU 35 HB2 GLU 35 3.956 -0.809 8.373 260 HB3 GLU 35 HB3 GLU 35 4.036 0.773 9.169 261 HG2 GLU 35 HG2 GLU 35 3.298 -0.493 11.294 262 HG3 GLU 35 HG3 GLU 35 3.821 -1.965 10.465 263 H VAL 36 HN VAL 36 2.158 -0.607 6.603 264 HA VAL 36 HA VAL 36 2.190 1.967 5.473 265 HB VAL 36 HB VAL 36 1.191 -0.653 4.263 266 HG11 VAL 36 HG11 VAL 36 0.641 1.310 2.823 267 HG12 VAL 36 HG12 VAL 36 2.346 1.790 2.859 268 HG13 VAL 36 HG13 VAL 36 1.860 0.267 2.088 269 HG21 VAL 36 HG21 VAL 36 3.988 0.575 4.300 270 HG22 VAL 36 HG22 VAL 36 3.501 -0.914 5.131 271 HG23 VAL 36 HG23 VAL 36 3.501 -0.840 3.369 272 H VAL 37 HN VAL 37 -0.527 0.061 6.632 273 HA VAL 37 HA VAL 37 -2.582 1.653 5.274 274 HB VAL 37 HB VAL 37 -2.696 -0.427 7.500 275 HG11 VAL 37 HG11 VAL 37 -5.136 -0.471 7.180 276 HG12 VAL 37 HG12 VAL 37 -4.577 1.090 7.807 277 HG13 VAL 37 HG13 VAL 37 -5.014 0.932 6.095 278 HG21 VAL 37 HG21 VAL 37 -3.557 -0.524 4.594 279 HG22 VAL 37 HG22 VAL 37 -2.087 -1.269 5.250 280 HG23 VAL 37 HG23 VAL 37 -3.675 -1.853 5.773 281 H LYS 38 HN LYS 38 -0.909 1.649 8.446 282 HA LYS 38 HA LYS 38 -2.730 3.619 9.566 283 HB2 LYS 38 HB2 LYS 38 -0.514 1.906 10.436 284 HB3 LYS 38 HB3 LYS 38 -0.357 3.541 11.080 285 HG2 LYS 38 HG2 LYS 38 -2.664 3.394 12.014 286 HG3 LYS 38 HG3 LYS 38 -2.869 1.816 11.251 287 HD2 LYS 38 HD2 LYS 38 -2.426 1.348 13.531 288 HD3 LYS 38 HD3 LYS 38 -0.962 0.944 12.650 289 HE2 LYS 38 HE2 LYS 38 -0.308 2.056 14.675 290 HE3 LYS 38 HE3 LYS 38 0.027 3.146 13.338 291 HZ1 LYS 38 HZ1 LYS 38 -1.002 4.309 15.139 292 HZ2 LYS 38 HZ2 LYS 38 -2.361 3.364 15.116 293 HZ3 LYS 38 HZ3 LYS 38 -1.945 4.377 13.863 294 H ALA 39 HN ALA 39 0.629 3.849 8.125 295 HA ALA 39 HA ALA 39 0.575 6.534 8.895 296 HB1 ALA 39 HB1 ALA 39 2.269 5.290 6.658 297 HB2 ALA 39 HB2 ALA 39 2.596 6.848 7.442 298 HB3 ALA 39 HB3 ALA 39 2.699 5.356 8.387 299 H ASP 40 HN ASP 40 -1.195 5.271 6.389 300 HA ASP 40 HA ASP 40 -1.497 7.347 4.466 301 HB2 ASP 40 HB2 ASP 40 -2.317 5.004 4.369 302 HB3 ASP 40 HB3 ASP 40 -3.439 5.370 5.659 303 H PHE 41 HN PHE 41 -2.220 7.522 7.807 304 HA PHE 41 HA PHE 41 -3.482 10.125 7.322 305 HB2 PHE 41 HB2 PHE 41 -5.172 9.627 9.159 306 HB3 PHE 41 HB3 PHE 41 -5.463 8.981 7.553 307 HD1 PHE 41 HD2 PHE 41 -3.316 7.765 10.412 308 HD2 PHE 41 HD1 PHE 41 -6.455 6.873 7.606 309 HE1 PHE 41 HE2 PHE 41 -3.231 5.503 11.107 310 HE2 PHE 41 HE1 PHE 41 -6.486 4.521 8.435 311 HZ PHE 41 HZ PHE 41 -4.951 3.825 10.267 312 H GLU 42 HN GLU 42 -0.847 9.011 8.322 313 HA GLU 42 HA GLU 42 -0.779 10.049 11.074 314 HB2 GLU 42 HB2 GLU 42 1.322 8.866 9.251 315 HB3 GLU 42 HB3 GLU 42 1.764 9.706 10.754 316 HG2 GLU 42 HG2 GLU 42 0.364 8.260 12.098 317 HG3 GLU 42 HG3 GLU 42 -0.297 7.483 10.654 318 H GLU 43 HN GLU 43 -0.461 11.389 7.868 319 HA GLU 43 HA GLU 43 -0.303 14.015 9.177 320 HB2 GLU 43 HB2 GLU 43 1.466 14.817 7.959 321 HB3 GLU 43 HB3 GLU 43 2.001 13.298 8.753 322 HG2 GLU 43 HG2 GLU 43 2.019 12.177 6.640 323 HG3 GLU 43 HG3 GLU 43 1.359 13.595 5.813 324 H ALA 44 HN ALA 44 -2.045 12.408 7.382 325 HA ALA 44 HA ALA 44 -3.338 12.425 5.768 326 HB1 ALA 44 HB1 ALA 44 -3.252 15.483 5.760 327 HB2 ALA 44 HB2 ALA 44 -4.546 14.490 5.066 328 HB3 ALA 44 HB3 ALA 44 -4.279 14.480 6.812 329 H GLY 45 HN GLY 45 -3.591 12.194 3.617 330 HA2 GLY 45 HA2 GLY 45 -3.178 12.359 1.335 331 HA3 GLY 45 HA1 GLY 45 -1.938 13.592 1.647 332 H HIS 46 HN HIS 46 -1.440 11.637 -0.209 333 HA HIS 46 HA HIS 46 -0.157 9.351 0.967 334 HB2 HIS 46 HB2 HIS 46 0.467 8.943 -1.518 335 HB3 HIS 46 HB3 HIS 46 -1.192 8.846 -0.992 336 HD1 HIS 46 HD1 HIS 46 0.855 11.894 -2.401 337 HD2 HIS 46 HD2 HIS 46 -2.755 9.725 -2.816 338 HE1 HIS 46 HE1 HIS 46 -0.515 13.087 -4.152 339 H GLU 47 HN GLU 47 1.042 12.303 1.325 340 HA GLU 47 HA GLU 47 3.569 12.199 -0.040 341 HB2 GLU 47 HB2 GLU 47 2.743 13.792 2.409 342 HB3 GLU 47 HB3 GLU 47 4.230 14.045 1.499 343 HG2 GLU 47 HG2 GLU 47 1.413 14.374 0.364 344 HG3 GLU 47 HG3 GLU 47 2.397 15.670 1.015 345 H ASP 48 HN ASP 48 2.826 11.655 3.504 346 HA ASP 48 HA ASP 48 5.443 10.533 3.881 347 HB2 ASP 48 HB2 ASP 48 4.271 11.449 5.776 348 HB3 ASP 48 HB3 ASP 48 3.041 10.199 5.745 349 H VAL 49 HN VAL 49 2.361 9.101 3.000 350 HA VAL 49 HA VAL 49 2.897 6.376 3.237 351 HB VAL 49 HB VAL 49 1.430 7.840 1.012 352 HG11 VAL 49 HG11 VAL 49 1.941 5.612 0.195 353 HG12 VAL 49 HG12 VAL 49 1.289 4.908 1.693 354 HG13 VAL 49 HG13 VAL 49 0.218 5.762 0.561 355 HG21 VAL 49 HG21 VAL 49 0.450 8.234 3.246 356 HG22 VAL 49 HG22 VAL 49 -0.607 7.210 2.262 357 HG23 VAL 49 HG23 VAL 49 0.401 6.478 3.520 358 H MET 50 HN MET 50 3.827 8.476 0.402 359 HA MET 50 HA MET 50 5.096 6.275 -0.890 360 HB2 MET 50 HB2 MET 50 5.899 9.167 -1.288 361 HB3 MET 50 HB3 MET 50 6.177 7.801 -2.353 362 HG2 MET 50 HG2 MET 50 3.755 9.458 -1.965 363 HG3 MET 50 HG3 MET 50 4.505 8.873 -3.428 364 HE1 MET 50 HE1 MET 50 4.465 5.580 -2.932 365 HE2 MET 50 HE2 MET 50 2.969 5.267 -3.825 366 HE3 MET 50 HE3 MET 50 4.134 6.455 -4.448 367 H ARG 51 HN ARG 51 6.407 8.564 1.603 368 HA ARG 51 HA ARG 51 9.148 7.686 1.092 369 HB2 ARG 51 HB2 ARG 51 7.757 9.512 3.063 370 HB3 ARG 51 HB3 ARG 51 9.268 8.758 3.537 371 HG2 ARG 51 HG2 ARG 51 9.959 9.640 1.022 372 HG3 ARG 51 HG3 ARG 51 8.787 10.868 1.499 373 HD2 ARG 51 HD2 ARG 51 11.239 9.982 3.083 374 HD3 ARG 51 HD3 ARG 51 11.151 11.433 2.074 375 HE ARG 51 HE ARG 51 9.008 11.640 3.849 376 HH11 ARG 51 HH11 ARG 51 12.488 11.302 4.236 377 HH12 ARG 51 HH12 ARG 51 12.479 11.896 5.873 378 HH21 ARG 51 HH21 ARG 51 9.055 12.835 5.752 379 HH22 ARG 51 HH22 ARG 51 10.562 13.245 6.508 380 H LYS 52 HN LYS 52 6.578 6.927 3.432 381 HA LYS 52 HA LYS 52 7.924 5.264 5.171 382 HB2 LYS 52 HB2 LYS 52 5.467 6.002 5.157 383 HB3 LYS 52 HB3 LYS 52 5.123 4.660 4.070 384 HG2 LYS 52 HG2 LYS 52 6.405 4.396 6.802 385 HG3 LYS 52 HG3 LYS 52 4.678 4.334 6.564 386 HD2 LYS 52 HD2 LYS 52 4.683 2.200 5.913 387 HD3 LYS 52 HD3 LYS 52 6.110 2.332 4.909 388 HE2 LYS 52 HE2 LYS 52 6.077 2.058 7.954 389 HE3 LYS 52 HE3 LYS 52 6.450 0.784 6.798 390 HZ1 LYS 52 HZ1 LYS 52 8.102 3.190 7.287 391 HZ2 LYS 52 HZ2 LYS 52 8.398 2.075 6.075 392 HZ3 LYS 52 HZ3 LYS 52 8.450 1.626 7.630 393 H VAL 53 HN VAL 53 6.558 4.437 1.970 394 HA VAL 53 HA VAL 53 7.509 1.688 2.215 395 HB VAL 53 HB VAL 53 5.262 2.527 1.343 396 HG11 VAL 53 HG11 VAL 53 5.077 3.106 -1.053 397 HG12 VAL 53 HG12 VAL 53 5.899 4.337 -0.108 398 HG13 VAL 53 HG13 VAL 53 6.834 3.280 -1.153 399 HG21 VAL 53 HG21 VAL 53 5.758 0.304 1.155 400 HG22 VAL 53 HG22 VAL 53 5.062 0.869 -0.386 401 HG23 VAL 53 HG23 VAL 53 6.809 0.555 -0.248 402 H LEU 54 HN LEU 54 8.610 4.635 0.508 403 HA LEU 54 HA LEU 54 10.360 3.171 -1.274 404 HB2 LEU 54 HB2 LEU 54 10.053 6.077 -0.494 405 HB3 LEU 54 HB3 LEU 54 11.404 5.557 -1.470 406 HG LEU 54 HG LEU 54 8.551 4.956 -2.317 407 HD11 LEU 54 HD11 LEU 54 8.685 7.343 -2.195 408 HD12 LEU 54 HD12 LEU 54 9.012 6.928 -3.891 409 HD13 LEU 54 HD13 LEU 54 10.346 7.343 -2.819 410 HD21 LEU 54 HD21 LEU 54 11.174 5.056 -3.880 411 HD22 LEU 54 HD22 LEU 54 9.567 4.732 -4.556 412 HD23 LEU 54 HD23 LEU 54 10.299 3.578 -3.436 413 H GLY 55 HN GLY 55 10.867 4.834 1.885 414 HA2 GLY 55 HA2 GLY 55 13.708 4.412 1.967 415 HA3 GLY 55 HA1 GLY 55 12.637 4.672 3.355 416 H ASP 56 HN ASP 56 10.878 2.403 2.853 417 HA ASP 56 HA ASP 56 12.295 0.289 4.109 418 HB2 ASP 56 HB2 ASP 56 9.617 0.479 2.691 419 HB3 ASP 56 HB3 ASP 56 10.174 -1.016 3.420 420 H LEU 57 HN LEU 57 11.400 0.847 0.675 421 HA LEU 57 HA LEU 57 12.598 -1.627 -0.269 422 HB2 LEU 57 HB2 LEU 57 11.949 1.002 -1.633 423 HB3 LEU 57 HB3 LEU 57 12.835 -0.265 -2.460 424 HG LEU 57 HG LEU 57 10.064 -0.648 -1.304 425 HD11 LEU 57 HD11 LEU 57 11.088 -0.297 -4.189 426 HD12 LEU 57 HD12 LEU 57 10.337 0.985 -3.299 427 HD13 LEU 57 HD13 LEU 57 9.385 -0.486 -3.721 428 HD21 LEU 57 HD21 LEU 57 9.935 -2.682 -2.580 429 HD22 LEU 57 HD22 LEU 57 11.390 -2.790 -1.598 430 HD23 LEU 57 HD23 LEU 57 11.533 -2.410 -3.316 431 H ASP 58 HN ASP 58 13.913 1.603 0.468 432 HA ASP 58 HA ASP 58 16.020 2.307 0.766 433 HB2 ASP 58 HB2 ASP 58 16.163 0.045 1.961 434 HB3 ASP 58 HB3 ASP 58 17.001 -0.553 0.535 435 H GLY 59 HN GLY 59 15.007 1.263 -2.112 436 HA2 GLY 59 HA2 GLY 59 16.058 2.030 -4.195 437 HA3 GLY 59 HA1 GLY 59 17.618 1.533 -3.558 438 H LYS 60 HN LYS 60 15.004 -0.689 -2.804 439 HA LYS 60 HA LYS 60 16.131 -2.789 -4.321 440 HB2 LYS 60 HB2 LYS 60 13.837 -2.392 -2.573 441 HB3 LYS 60 HB3 LYS 60 13.577 -3.610 -3.778 442 HG2 LYS 60 HG2 LYS 60 15.809 -4.633 -3.027 443 HG3 LYS 60 HG3 LYS 60 15.702 -3.560 -1.613 444 HD2 LYS 60 HD2 LYS 60 13.428 -4.566 -1.131 445 HD3 LYS 60 HD3 LYS 60 13.638 -5.617 -2.538 446 HE2 LYS 60 HE2 LYS 60 14.209 -6.984 -0.720 447 HE3 LYS 60 HE3 LYS 60 15.743 -6.519 -1.456 448 HZ1 LYS 60 HZ1 LYS 60 16.336 -5.741 0.513 449 HZ2 LYS 60 HZ2 LYS 60 14.881 -6.036 1.198 450 HZ3 LYS 60 HZ3 LYS 60 15.163 -4.600 0.486 451 H ARG 61 HN ARG 61 13.668 -0.412 -5.240 452 HA ARG 61 HA ARG 61 13.516 -1.598 -7.864 453 HB2 ARG 61 HB2 ARG 61 11.033 -1.417 -6.083 454 HB3 ARG 61 HB3 ARG 61 10.901 -1.353 -7.823 455 HG2 ARG 61 HG2 ARG 61 12.014 -3.697 -6.242 456 HG3 ARG 61 HG3 ARG 61 10.417 -3.582 -6.980 457 HD2 ARG 61 HD2 ARG 61 11.487 -3.316 -9.209 458 HD3 ARG 61 HD3 ARG 61 13.067 -3.580 -8.481 459 HE ARG 61 HE ARG 61 12.282 -5.822 -7.767 460 HH11 ARG 61 HH11 ARG 61 10.586 -4.365 -10.594 461 HH12 ARG 61 HH12 ARG 61 10.475 -5.886 -11.400 462 HH21 ARG 61 HH21 ARG 61 11.836 -7.726 -8.664 463 HH22 ARG 61 HH22 ARG 61 11.060 -7.917 -10.197 464 HA PRO 62 HA PRO 62 13.434 2.660 -8.834 465 HB2 PRO 62 HB2 PRO 62 11.848 2.719 -11.142 466 HB3 PRO 62 HB3 PRO 62 13.577 2.270 -11.104 467 HG2 PRO 62 HG2 PRO 62 11.162 0.499 -11.180 468 HG3 PRO 62 HG3 PRO 62 12.757 0.258 -11.973 469 HD2 PRO 62 HD2 PRO 62 12.003 -1.051 -9.720 470 HD3 PRO 62 HD3 PRO 62 13.693 -0.582 -10.050 471 H GLU 63 HN GLU 63 12.184 4.494 -8.466 472 HA GLU 63 HA GLU 63 9.742 4.276 -7.082 473 HB2 GLU 63 HB2 GLU 63 11.143 6.243 -6.893 474 HB3 GLU 63 HB3 GLU 63 10.908 6.646 -8.599 475 HG2 GLU 63 HG2 GLU 63 8.552 6.998 -8.268 476 HG3 GLU 63 HG3 GLU 63 8.583 6.484 -6.594 477 H ALA 64 HN ALA 64 10.307 4.809 -10.600 478 HA ALA 64 HA ALA 64 7.700 5.344 -11.403 479 HB1 ALA 64 HB1 ALA 64 9.804 3.645 -12.820 480 HB2 ALA 64 HB2 ALA 64 8.310 4.229 -13.573 481 HB3 ALA 64 HB3 ALA 64 9.512 5.394 -13.009 482 H GLU 65 HN GLU 65 9.104 2.039 -10.814 483 HA GLU 65 HA GLU 65 6.755 0.615 -11.557 484 HB2 GLU 65 HB2 GLU 65 9.026 -0.291 -11.446 485 HB3 GLU 65 HB3 GLU 65 9.040 -0.140 -9.674 486 HG2 GLU 65 HG2 GLU 65 7.300 -1.762 -9.449 487 HG3 GLU 65 HG3 GLU 65 6.879 -1.649 -11.155 488 H VAL 66 HN VAL 66 7.935 1.868 -8.426 489 HA VAL 66 HA VAL 66 5.894 0.792 -6.780 490 HB VAL 66 HB VAL 66 7.551 3.325 -6.376 491 HG11 VAL 66 HG11 VAL 66 7.243 2.984 -4.007 492 HG12 VAL 66 HG12 VAL 66 5.652 3.077 -4.755 493 HG13 VAL 66 HG13 VAL 66 6.324 1.499 -4.274 494 HG21 VAL 66 HG21 VAL 66 8.999 1.315 -6.810 495 HG22 VAL 66 HG22 VAL 66 9.150 1.935 -5.178 496 HG23 VAL 66 HG23 VAL 66 8.179 0.476 -5.491 497 H ARG 67 HN ARG 67 6.109 4.060 -8.316 498 HA ARG 67 HA ARG 67 3.680 4.996 -7.162 499 HB2 ARG 67 HB2 ARG 67 4.396 5.976 -9.937 500 HB3 ARG 67 HB3 ARG 67 3.687 6.832 -8.579 501 HG2 ARG 67 HG2 ARG 67 6.152 6.226 -7.556 502 HG3 ARG 67 HG3 ARG 67 6.506 6.272 -9.285 503 HD2 ARG 67 HD2 ARG 67 7.005 8.428 -8.595 504 HD3 ARG 67 HD3 ARG 67 5.464 8.558 -9.396 505 HE ARG 67 HE ARG 67 4.541 8.354 -6.956 506 HH11 ARG 67 HH11 ARG 67 7.537 10.134 -7.778 507 HH12 ARG 67 HH12 ARG 67 6.977 11.636 -7.159 508 HH21 ARG 67 HH21 ARG 67 3.933 10.333 -5.824 509 HH22 ARG 67 HH22 ARG 67 4.920 11.734 -5.965 510 H ALA 68 HN ALA 68 4.316 3.398 -10.213 511 HA ALA 68 HA ALA 68 1.629 3.465 -11.247 512 HB1 ALA 68 HB1 ALA 68 2.273 1.524 -12.654 513 HB2 ALA 68 HB2 ALA 68 3.467 2.820 -12.725 514 HB3 ALA 68 HB3 ALA 68 3.791 1.365 -11.746 515 H LYS 69 HN LYS 69 3.326 0.941 -9.292 516 HA LYS 69 HA LYS 69 1.203 -0.851 -9.059 517 HB2 LYS 69 HB2 LYS 69 3.675 -1.006 -8.201 518 HB3 LYS 69 HB3 LYS 69 3.062 -0.229 -6.748 519 HG2 LYS 69 HG2 LYS 69 2.856 -2.441 -6.168 520 HG3 LYS 69 HG3 LYS 69 1.231 -2.163 -6.817 521 HD2 LYS 69 HD2 LYS 69 2.118 -3.109 -9.052 522 HD3 LYS 69 HD3 LYS 69 3.633 -3.427 -8.201 523 HE2 LYS 69 HE2 LYS 69 2.685 -5.480 -7.899 524 HE3 LYS 69 HE3 LYS 69 2.064 -4.669 -6.460 525 HZ1 LYS 69 HZ1 LYS 69 0.221 -5.660 -7.402 526 HZ2 LYS 69 HZ2 LYS 69 0.692 -5.328 -8.953 527 HZ3 LYS 69 HZ3 LYS 69 0.095 -4.122 -8.027 528 H TYR 70 HN TYR 70 1.935 1.953 -6.887 529 HA TYR 70 HA TYR 70 -0.318 1.504 -5.223 530 HB2 TYR 70 HB2 TYR 70 1.725 2.854 -4.648 531 HB3 TYR 70 HB3 TYR 70 1.134 4.140 -5.682 532 HD1 TYR 70 HD1 TYR 70 -0.207 1.890 -2.955 533 HD2 TYR 70 HD2 TYR 70 0.086 5.913 -4.490 534 HE1 TYR 70 HE1 TYR 70 -1.508 2.736 -1.014 535 HE2 TYR 70 HE2 TYR 70 -1.194 6.754 -2.533 536 HH TYR 70 HH TYR 70 -2.360 6.148 -0.475 537 H GLU 71 HN GLU 71 0.086 3.906 -7.900 538 HA GLU 71 HA GLU 71 -2.578 4.917 -7.471 539 HB2 GLU 71 HB2 GLU 71 -0.776 5.325 -9.895 540 HB3 GLU 71 HB3 GLU 71 -2.211 6.262 -9.463 541 HG2 GLU 71 HG2 GLU 71 -0.712 6.446 -7.132 542 HG3 GLU 71 HG3 GLU 71 0.549 6.405 -8.366 543 H GLY 72 HN GLY 72 -1.331 2.297 -9.530 544 HA2 GLY 72 HA2 GLY 72 -3.713 1.941 -11.139 545 HA3 GLY 72 HA1 GLY 72 -2.416 0.781 -10.825 546 H LEU 73 HN LEU 73 -2.724 1.065 -7.883 547 HA LEU 73 HA LEU 73 -4.263 -1.182 -7.570 548 HB2 LEU 73 HB2 LEU 73 -2.387 0.213 -6.101 549 HB3 LEU 73 HB3 LEU 73 -3.792 0.495 -5.116 550 HG LEU 73 HG LEU 73 -4.026 -1.874 -4.633 551 HD11 LEU 73 HD11 LEU 73 -2.354 -3.540 -5.625 552 HD12 LEU 73 HD12 LEU 73 -1.925 -2.309 -6.828 553 HD13 LEU 73 HD13 LEU 73 -3.567 -2.983 -6.770 554 HD21 LEU 73 HD21 LEU 73 -2.181 -0.563 -3.507 555 HD22 LEU 73 HD22 LEU 73 -1.055 -1.012 -4.800 556 HD23 LEU 73 HD23 LEU 73 -1.661 -2.243 -3.735 557 H MET 74 HN MET 74 -5.387 2.129 -7.406 558 HA MET 74 HA MET 74 -7.388 1.893 -5.475 559 HB2 MET 74 HB2 MET 74 -6.795 4.002 -6.624 560 HB3 MET 74 HB3 MET 74 -7.637 3.448 -8.086 561 HG2 MET 74 HG2 MET 74 -9.743 3.260 -6.796 562 HG3 MET 74 HG3 MET 74 -8.916 3.766 -5.333 563 HE1 MET 74 HE1 MET 74 -8.080 6.166 -4.858 564 HE2 MET 74 HE2 MET 74 -7.108 6.287 -6.345 565 HE3 MET 74 HE3 MET 74 -8.282 7.558 -5.939 566 H ALA 75 HN ALA 75 -7.643 1.000 -8.960 567 HA ALA 75 HA ALA 75 -10.397 0.161 -8.652 568 HB1 ALA 75 HB1 ALA 75 -10.230 -0.628 -10.928 569 HB2 ALA 75 HB2 ALA 75 -9.428 0.946 -10.819 570 HB3 ALA 75 HB3 ALA 75 -8.461 -0.554 -10.889 571 H VAL 76 HN VAL 76 -7.227 -1.532 -8.455 572 HA VAL 76 HA VAL 76 -8.319 -4.204 -8.520 573 HB VAL 76 HB VAL 76 -5.756 -3.199 -7.213 574 HG11 VAL 76 HG11 VAL 76 -6.509 -5.967 -8.256 575 HG12 VAL 76 HG12 VAL 76 -4.926 -5.503 -7.596 576 HG13 VAL 76 HG13 VAL 76 -6.350 -5.509 -6.549 577 HG21 VAL 76 HG21 VAL 76 -6.175 -4.173 -10.062 578 HG22 VAL 76 HG22 VAL 76 -5.751 -2.513 -9.582 579 HG23 VAL 76 HG23 VAL 76 -4.605 -3.829 -9.311 580 H ALA 77 HN ALA 77 -7.249 -2.046 -5.897 581 HA ALA 77 HA ALA 77 -7.849 -3.463 -3.640 582 HB1 ALA 77 HB1 ALA 77 -6.616 -1.356 -3.643 583 HB2 ALA 77 HB2 ALA 77 -8.076 -0.466 -4.122 584 HB3 ALA 77 HB3 ALA 77 -7.997 -1.241 -2.543 585 H LYS 78 HN LYS 78 -9.977 -1.157 -5.435 586 HA LYS 78 HA LYS 78 -12.267 -1.427 -3.763 587 HB2 LYS 78 HB2 LYS 78 -11.860 -0.573 -6.658 588 HB3 LYS 78 HB3 LYS 78 -13.464 -0.683 -5.954 589 HG2 LYS 78 HG2 LYS 78 -12.786 0.914 -4.140 590 HG3 LYS 78 HG3 LYS 78 -11.200 1.072 -4.891 591 HD2 LYS 78 HD2 LYS 78 -12.442 2.935 -5.693 592 HD3 LYS 78 HD3 LYS 78 -12.442 1.786 -7.040 593 HE2 LYS 78 HE2 LYS 78 -14.685 0.935 -6.178 594 HE3 LYS 78 HE3 LYS 78 -14.677 2.234 -4.983 595 HZ1 LYS 78 HZ1 LYS 78 -14.630 2.556 -7.915 596 HZ2 LYS 78 HZ2 LYS 78 -14.673 3.815 -6.843 597 HZ3 LYS 78 HZ3 LYS 78 -15.936 2.727 -6.971 598 H ALA 79 HN ALA 79 -11.453 -3.252 -6.763 599 HA ALA 79 HA ALA 79 -13.898 -4.731 -6.793 600 HB1 ALA 79 HB1 ALA 79 -12.433 -4.580 -8.755 601 HB2 ALA 79 HB2 ALA 79 -11.128 -5.397 -7.855 602 HB3 ALA 79 HB3 ALA 79 -12.614 -6.278 -8.262 603 H GLN 80 HN GLN 80 -10.734 -5.317 -5.157 604 HA GLN 80 HA GLN 80 -11.499 -7.871 -4.136 605 HB2 GLN 80 HB2 GLN 80 -9.452 -5.845 -3.181 606 HB3 GLN 80 HB3 GLN 80 -9.705 -7.418 -2.418 607 HG2 GLN 80 HG2 GLN 80 -9.252 -8.552 -4.586 608 HG3 GLN 80 HG3 GLN 80 -8.943 -6.981 -5.339 609 HE21 GLN 80 HE21 GLN 80 -6.835 -8.140 -5.820 610 HE22 GLN 80 HE22 GLN 80 -5.572 -8.115 -4.616 611 H LEU 81 HN LEU 81 -12.183 -4.574 -2.842 612 HA LEU 81 HA LEU 81 -12.946 -5.617 -0.270 613 HB2 LEU 81 HB2 LEU 81 -12.862 -3.467 0.305 614 HB3 LEU 81 HB3 LEU 81 -12.253 -3.172 -1.281 615 HG LEU 81 HG LEU 81 -14.782 -2.848 -1.942 616 HD11 LEU 81 HD11 LEU 81 -14.806 -2.288 1.059 617 HD12 LEU 81 HD12 LEU 81 -15.626 -3.632 0.304 618 HD13 LEU 81 HD13 LEU 81 -16.159 -2.000 -0.080 619 HD21 LEU 81 HD21 LEU 81 -14.651 -0.438 -1.029 620 HD22 LEU 81 HD22 LEU 81 -13.350 -0.956 -2.086 621 HD23 LEU 81 HD23 LEU 81 -13.071 -0.914 -0.346 622 H MET 82 HN MET 82 -14.593 -4.922 -3.252 623 HA MET 82 HA MET 82 -17.285 -5.442 -2.367 624 HB2 MET 82 HB2 MET 82 -15.950 -5.490 -5.082 625 HB3 MET 82 HB3 MET 82 -17.688 -5.717 -4.843 626 HG2 MET 82 HG2 MET 82 -16.223 -3.278 -3.772 627 HG3 MET 82 HG3 MET 82 -16.891 -3.349 -5.390 628 HE1 MET 82 HE1 MET 82 -17.667 -1.155 -3.007 629 HE2 MET 82 HE2 MET 82 -18.251 -1.061 -4.691 630 HE3 MET 82 HE3 MET 82 -19.403 -1.002 -3.339 631 H ASP 83 HN ASP 83 -14.678 -7.584 -2.432 632 HA ASP 83 HA ASP 83 -16.506 -9.919 -2.647 633 HB2 ASP 83 HB2 ASP 83 -15.084 -9.499 -4.688 634 HB3 ASP 83 HB3 ASP 83 -13.665 -9.718 -3.676 635 H GLU 84 HN GLU 84 -13.980 -8.285 -0.835 636 HA GLU 84 HA GLU 84 -13.547 -10.603 0.959 637 HB2 GLU 84 HB2 GLU 84 -12.594 -7.723 0.855 638 HB3 GLU 84 HB3 GLU 84 -12.334 -8.700 2.279 639 HG2 GLU 84 HG2 GLU 84 -11.438 -10.233 0.010 640 HG3 GLU 84 HG3 GLU 84 -10.765 -8.619 -0.109 641 H LEU 85 HN LEU 85 -15.877 -8.122 0.671 642 HA LEU 85 HA LEU 85 -16.800 -8.495 3.460 643 HB2 LEU 85 HB2 LEU 85 -16.361 -5.933 1.953 644 HB3 LEU 85 HB3 LEU 85 -17.929 -6.103 2.729 645 HG LEU 85 HG LEU 85 -16.184 -4.885 4.034 646 HD11 LEU 85 HD11 LEU 85 -17.399 -7.350 5.327 647 HD12 LEU 85 HD12 LEU 85 -18.197 -5.786 5.084 648 HD13 LEU 85 HD13 LEU 85 -16.805 -5.902 6.180 649 HD21 LEU 85 HD21 LEU 85 -14.423 -6.058 5.183 650 HD22 LEU 85 HD22 LEU 85 -14.286 -6.506 3.466 651 HD23 LEU 85 HD23 LEU 85 -15.003 -7.619 4.635 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -19.618 5.723 4.824 2 HA2 GLY 1 HA2 GLY 1 -17.705 7.003 3.973 3 HA3 GLY 1 HA1 GLY 1 -17.209 5.829 5.199 4 H MET 2 HN MET 2 -17.654 6.090 1.591 5 HA MET 2 HA MET 2 -16.310 3.665 1.085 6 HB2 MET 2 HB2 MET 2 -17.891 4.644 -0.464 7 HB3 MET 2 HB3 MET 2 -16.838 6.008 -0.777 8 HG2 MET 2 HG2 MET 2 -15.291 4.747 -1.972 9 HG3 MET 2 HG3 MET 2 -15.746 3.234 -1.189 10 HE1 MET 2 HE1 MET 2 -17.595 1.596 -1.939 11 HE2 MET 2 HE2 MET 2 -18.675 2.865 -1.327 12 HE3 MET 2 HE3 MET 2 -19.001 2.138 -2.888 13 H GLN 3 HN GLN 3 -15.073 7.050 0.817 14 HA GLN 3 HA GLN 3 -12.618 6.699 -0.159 15 HB2 GLN 3 HB2 GLN 3 -13.764 8.578 1.848 16 HB3 GLN 3 HB3 GLN 3 -12.015 8.444 1.952 17 HG2 GLN 3 HG2 GLN 3 -13.457 9.066 -0.653 18 HG3 GLN 3 HG3 GLN 3 -12.860 10.291 0.479 19 HE21 GLN 3 HE21 GLN 3 -10.599 10.779 0.539 20 HE22 GLN 3 HE22 GLN 3 -9.484 10.026 -0.574 21 H PHE 4 HN PHE 4 -13.445 5.841 2.997 22 HA PHE 4 HA PHE 4 -10.810 5.486 4.220 23 HB2 PHE 4 HB2 PHE 4 -13.628 5.703 5.019 24 HB3 PHE 4 HB3 PHE 4 -12.770 4.477 5.927 25 HD1 PHE 4 HD2 PHE 4 -10.978 7.566 4.829 26 HD2 PHE 4 HD1 PHE 4 -13.097 5.537 7.981 27 HE1 PHE 4 HE2 PHE 4 -10.044 9.157 6.472 28 HE2 PHE 4 HE1 PHE 4 -12.257 7.238 9.620 29 HZ PHE 4 HZ PHE 4 -10.697 9.009 8.860 30 H LYS 5 HN LYS 5 -13.714 3.505 3.462 31 HA LYS 5 HA LYS 5 -12.395 1.091 4.289 32 HB2 LYS 5 HB2 LYS 5 -14.976 1.756 2.948 33 HB3 LYS 5 HB3 LYS 5 -14.314 0.192 2.486 34 HG2 LYS 5 HG2 LYS 5 -14.854 1.088 5.345 35 HG3 LYS 5 HG3 LYS 5 -15.837 -0.006 4.384 36 HD2 LYS 5 HD2 LYS 5 -14.635 -1.743 5.185 37 HD3 LYS 5 HD3 LYS 5 -13.282 -1.173 4.225 38 HE2 LYS 5 HE2 LYS 5 -12.284 -1.172 6.305 39 HE3 LYS 5 HE3 LYS 5 -12.914 0.479 6.281 40 HZ1 LYS 5 HZ1 LYS 5 -13.579 -0.327 8.280 41 HZ2 LYS 5 HZ2 LYS 5 -13.885 -1.849 7.747 42 HZ3 LYS 5 HZ3 LYS 5 -14.952 -0.662 7.391 43 H ALA 6 HN ALA 6 -12.920 2.680 1.176 44 HA ALA 6 HA ALA 6 -11.404 0.984 -0.491 45 HB1 ALA 6 HB1 ALA 6 -11.271 2.954 -1.971 46 HB2 ALA 6 HB2 ALA 6 -12.913 2.760 -1.334 47 HB3 ALA 6 HB3 ALA 6 -11.832 4.004 -0.666 48 H GLU 7 HN GLU 7 -10.401 3.915 1.482 49 HA GLU 7 HA GLU 7 -7.702 3.905 0.699 50 HB2 GLU 7 HB2 GLU 7 -9.268 4.922 3.040 51 HB3 GLU 7 HB3 GLU 7 -7.541 4.744 3.305 52 HG2 GLU 7 HG2 GLU 7 -6.930 6.345 1.745 53 HG3 GLU 7 HG3 GLU 7 -8.408 6.184 0.827 54 H ALA 8 HN ALA 8 -9.166 2.224 3.529 55 HA ALA 8 HA ALA 8 -6.847 1.050 4.472 56 HB1 ALA 8 HB1 ALA 8 -8.328 -0.540 5.610 57 HB2 ALA 8 HB2 ALA 8 -8.964 1.113 5.688 58 HB3 ALA 8 HB3 ALA 8 -9.681 -0.056 4.555 59 H ARG 9 HN ARG 9 -9.182 -0.558 2.172 60 HA ARG 9 HA ARG 9 -7.450 -2.832 1.902 61 HB2 ARG 9 HB2 ARG 9 -9.923 -2.776 1.351 62 HB3 ARG 9 HB3 ARG 9 -9.509 -1.930 -0.139 63 HG2 ARG 9 HG2 ARG 9 -9.755 -4.216 -0.768 64 HG3 ARG 9 HG3 ARG 9 -8.047 -3.916 -0.768 65 HD2 ARG 9 HD2 ARG 9 -8.499 -6.069 0.135 66 HD3 ARG 9 HD3 ARG 9 -7.833 -5.060 1.419 67 HE ARG 9 HE ARG 9 -10.315 -4.785 2.138 68 HH11 ARG 9 HH11 ARG 9 -9.058 -7.859 0.720 69 HH12 ARG 9 HH12 ARG 9 -10.253 -8.811 1.501 70 HH21 ARG 9 HH21 ARG 9 -11.920 -6.112 3.062 71 HH22 ARG 9 HH22 ARG 9 -11.960 -7.810 2.769 72 H ARG 10 HN ARG 10 -7.561 0.244 0.103 73 HA ARG 10 HA ARG 10 -5.781 -0.461 -2.057 74 HB2 ARG 10 HB2 ARG 10 -7.289 1.568 -1.910 75 HB3 ARG 10 HB3 ARG 10 -6.219 2.222 -0.675 76 HG2 ARG 10 HG2 ARG 10 -4.604 1.490 -2.906 77 HG3 ARG 10 HG3 ARG 10 -6.018 2.270 -3.576 78 HD2 ARG 10 HD2 ARG 10 -4.190 3.458 -1.450 79 HD3 ARG 10 HD3 ARG 10 -4.218 3.905 -3.161 80 HE ARG 10 HE ARG 10 -6.826 4.264 -2.369 81 HH11 ARG 10 HH11 ARG 10 -3.748 5.515 -0.994 82 HH12 ARG 10 HH12 ARG 10 -4.411 7.055 -0.644 83 HH21 ARG 10 HH21 ARG 10 -7.698 6.360 -1.626 84 HH22 ARG 10 HH22 ARG 10 -6.553 7.565 -1.162 85 H ASN 11 HN ASN 11 -5.146 1.245 1.013 86 HA ASN 11 HA ASN 11 -2.373 1.198 0.707 87 HB2 ASN 11 HB2 ASN 11 -3.970 1.381 3.288 88 HB3 ASN 11 HB3 ASN 11 -2.294 1.846 3.042 89 HD21 ASN 11 HD21 ASN 11 -3.856 3.960 4.054 90 HD22 ASN 11 HD22 ASN 11 -4.120 5.044 2.730 91 H LYS 12 HN LYS 12 -4.537 -1.191 2.367 92 HA LYS 12 HA LYS 12 -2.513 -2.877 3.365 93 HB2 LYS 12 HB2 LYS 12 -4.899 -3.055 3.956 94 HB3 LYS 12 HB3 LYS 12 -5.240 -3.771 2.369 95 HG2 LYS 12 HG2 LYS 12 -3.728 -5.656 2.861 96 HG3 LYS 12 HG3 LYS 12 -3.185 -4.866 4.344 97 HD2 LYS 12 HD2 LYS 12 -4.627 -6.622 4.954 98 HD3 LYS 12 HD3 LYS 12 -5.472 -5.120 5.303 99 HE2 LYS 12 HE2 LYS 12 -6.989 -5.401 3.509 100 HE3 LYS 12 HE3 LYS 12 -5.897 -6.510 2.657 101 HZ1 LYS 12 HZ1 LYS 12 -7.355 -7.235 5.143 102 HZ2 LYS 12 HZ2 LYS 12 -6.295 -8.155 4.343 103 HZ3 LYS 12 HZ3 LYS 12 -7.678 -7.768 3.615 104 H LEU 13 HN LEU 13 -4.091 -2.922 0.083 105 HA LEU 13 HA LEU 13 -2.754 -5.251 -0.799 106 HB2 LEU 13 HB2 LEU 13 -4.043 -2.917 -2.185 107 HB3 LEU 13 HB3 LEU 13 -3.009 -4.012 -3.106 108 HG LEU 13 HG LEU 13 -5.508 -4.872 -1.662 109 HD11 LEU 13 HD11 LEU 13 -4.763 -4.585 -4.624 110 HD12 LEU 13 HD12 LEU 13 -5.755 -3.437 -3.691 111 HD13 LEU 13 HD13 LEU 13 -6.338 -5.060 -3.978 112 HD21 LEU 13 HD21 LEU 13 -3.375 -6.376 -3.273 113 HD22 LEU 13 HD22 LEU 13 -5.013 -6.988 -3.031 114 HD23 LEU 13 HD23 LEU 13 -3.979 -6.734 -1.633 115 H MET 14 HN MET 14 -1.505 -1.746 -0.915 116 HA MET 14 HA MET 14 0.578 -2.374 -2.571 117 HB2 MET 14 HB2 MET 14 -0.193 -0.089 -1.745 118 HB3 MET 14 HB3 MET 14 0.751 -0.388 -0.277 119 HG2 MET 14 HG2 MET 14 2.651 -1.012 -2.092 120 HG3 MET 14 HG3 MET 14 1.657 0.009 -3.113 121 HE1 MET 14 HE1 MET 14 3.446 1.258 -3.806 122 HE2 MET 14 HE2 MET 14 4.453 2.357 -2.848 123 HE3 MET 14 HE3 MET 14 4.723 0.593 -2.773 124 H GLY 15 HN GLY 15 0.702 -2.421 1.055 125 HA2 GLY 15 HA2 GLY 15 3.414 -3.011 1.223 126 HA3 GLY 15 HA1 GLY 15 2.241 -3.318 2.476 127 H LEU 16 HN LEU 16 0.680 -5.231 0.587 128 HA LEU 16 HA LEU 16 2.060 -7.663 1.241 129 HB2 LEU 16 HB2 LEU 16 -0.211 -6.970 -0.670 130 HB3 LEU 16 HB3 LEU 16 0.420 -8.592 -0.518 131 HG LEU 16 HG LEU 16 -0.799 -6.993 1.771 132 HD11 LEU 16 HD11 LEU 16 -2.453 -7.620 0.080 133 HD12 LEU 16 HD12 LEU 16 -2.693 -8.546 1.564 134 HD13 LEU 16 HD13 LEU 16 -1.927 -9.316 0.155 135 HD21 LEU 16 HD21 LEU 16 0.686 -8.482 2.825 136 HD22 LEU 16 HD22 LEU 16 0.445 -9.760 1.644 137 HD23 LEU 16 HD23 LEU 16 -0.822 -9.403 2.820 138 H TRP 17 HN TRP 17 1.864 -5.700 -1.779 139 HA TRP 17 HA TRP 17 3.583 -7.480 -3.280 140 HB2 TRP 17 HB2 TRP 17 2.135 -5.953 -4.494 141 HB3 TRP 17 HB3 TRP 17 2.792 -4.566 -3.643 142 HD1 TRP 17 HD1 TRP 17 4.085 -7.294 -6.055 143 HE1 TRP 17 HE1 TRP 17 6.178 -6.483 -7.228 144 HE3 TRP 17 HE3 TRP 17 4.372 -2.704 -3.943 145 HZ2 TRP 17 HZ2 TRP 17 7.734 -4.062 -7.289 146 HZ3 TRP 17 HZ3 TRP 17 6.249 -1.142 -4.501 147 HH2 TRP 17 HH2 TRP 17 7.962 -1.841 -6.193 148 H VAL 18 HN VAL 18 4.152 -4.452 -1.406 149 HA VAL 18 HA VAL 18 6.931 -4.284 -1.956 150 HB VAL 18 HB VAL 18 5.413 -3.466 0.524 151 HG11 VAL 18 HG11 VAL 18 7.244 -1.771 0.788 152 HG12 VAL 18 HG12 VAL 18 7.789 -3.422 1.041 153 HG13 VAL 18 HG13 VAL 18 8.150 -2.596 -0.487 154 HG21 VAL 18 HG21 VAL 18 5.201 -1.270 -0.339 155 HG22 VAL 18 HG22 VAL 18 6.201 -1.636 -1.761 156 HG23 VAL 18 HG23 VAL 18 4.584 -2.347 -1.597 157 H ALA 19 HN ALA 19 5.220 -6.144 0.627 158 HA ALA 19 HA ALA 19 7.450 -7.066 2.056 159 HB1 ALA 19 HB1 ALA 19 5.228 -7.276 2.914 160 HB2 ALA 19 HB2 ALA 19 4.706 -8.263 1.533 161 HB3 ALA 19 HB3 ALA 19 5.841 -8.912 2.693 162 H GLU 20 HN GLU 20 5.932 -8.356 -0.919 163 HA GLU 20 HA GLU 20 7.618 -10.678 -1.231 164 HB2 GLU 20 HB2 GLU 20 5.680 -10.777 -2.404 165 HB3 GLU 20 HB3 GLU 20 5.658 -9.099 -2.864 166 HG2 GLU 20 HG2 GLU 20 7.481 -9.525 -4.525 167 HG3 GLU 20 HG3 GLU 20 7.368 -11.255 -4.138 168 H VAL 21 HN VAL 21 7.929 -7.273 -2.403 169 HA VAL 21 HA VAL 21 10.432 -7.738 -3.728 170 HB VAL 21 HB VAL 21 9.174 -5.194 -2.624 171 HG11 VAL 21 HG11 VAL 21 11.586 -5.499 -4.467 172 HG12 VAL 21 HG12 VAL 21 10.733 -3.978 -4.101 173 HG13 VAL 21 HG13 VAL 21 11.598 -4.824 -2.825 174 HG21 VAL 21 HG21 VAL 21 7.876 -6.210 -4.427 175 HG22 VAL 21 HG22 VAL 21 8.731 -4.781 -5.011 176 HG23 VAL 21 HG23 VAL 21 9.339 -6.398 -5.421 177 H LEU 22 HN LEU 22 9.623 -7.002 -0.342 178 HA LEU 22 HA LEU 22 12.388 -6.666 0.467 179 HB2 LEU 22 HB2 LEU 22 9.725 -6.900 1.898 180 HB3 LEU 22 HB3 LEU 22 11.214 -6.942 2.818 181 HG LEU 22 HG LEU 22 10.539 -4.655 0.936 182 HD11 LEU 22 HD11 LEU 22 9.903 -3.408 2.979 183 HD12 LEU 22 HD12 LEU 22 10.124 -4.869 3.951 184 HD13 LEU 22 HD13 LEU 22 8.839 -4.803 2.725 185 HD21 LEU 22 HD21 LEU 22 12.292 -3.476 2.183 186 HD22 LEU 22 HD22 LEU 22 12.973 -4.947 1.524 187 HD23 LEU 22 HD23 LEU 22 12.540 -4.869 3.240 188 H GLY 23 HN GLY 23 10.550 -9.502 -0.187 189 HA2 GLY 23 HA2 GLY 23 11.213 -11.714 0.083 190 HA3 GLY 23 HA1 GLY 23 12.715 -11.173 0.844 191 H LYS 24 HN LYS 24 9.580 -10.069 1.952 192 HA LYS 24 HA LYS 24 9.687 -11.517 4.532 193 HB2 LYS 24 HB2 LYS 24 7.725 -9.663 3.173 194 HB3 LYS 24 HB3 LYS 24 7.292 -10.545 4.637 195 HG2 LYS 24 HG2 LYS 24 9.243 -9.536 5.788 196 HG3 LYS 24 HG3 LYS 24 9.568 -8.536 4.373 197 HD2 LYS 24 HD2 LYS 24 7.692 -7.164 4.728 198 HD3 LYS 24 HD3 LYS 24 6.773 -8.439 5.495 199 HE2 LYS 24 HE2 LYS 24 7.268 -7.309 7.431 200 HE3 LYS 24 HE3 LYS 24 8.662 -8.337 7.365 201 HZ1 LYS 24 HZ1 LYS 24 9.884 -6.525 6.288 202 HZ2 LYS 24 HZ2 LYS 24 9.372 -6.191 7.784 203 HZ3 LYS 24 HZ3 LYS 24 8.591 -5.510 6.509 204 H SER 25 HN SER 25 7.545 -12.813 5.016 205 HA SER 25 HA SER 25 6.186 -13.965 2.786 206 HB2 SER 25 HB2 SER 25 6.943 -16.333 3.428 207 HB3 SER 25 HB3 SER 25 8.051 -15.373 2.442 208 HG SER 25 HG SER 25 9.025 -16.512 4.207 209 H GLY 26 HN GLY 26 4.628 -15.682 3.586 210 HA2 GLY 26 HA2 GLY 26 3.080 -16.499 5.076 211 HA3 GLY 26 HA1 GLY 26 4.314 -16.319 6.335 212 H ASP 27 HN ASP 27 3.525 -15.120 7.992 213 HA ASP 27 HA ASP 27 1.432 -13.109 7.435 214 HB2 ASP 27 HB2 ASP 27 2.288 -14.678 9.798 215 HB3 ASP 27 HB3 ASP 27 1.792 -13.037 10.127 216 H GLU 28 HN GLU 28 4.905 -13.150 8.002 217 HA GLU 28 HA GLU 28 5.175 -10.614 9.120 218 HB2 GLU 28 HB2 GLU 28 6.811 -12.535 7.640 219 HB3 GLU 28 HB3 GLU 28 7.193 -10.922 7.073 220 HG2 GLU 28 HG2 GLU 28 7.099 -11.694 10.004 221 HG3 GLU 28 HG3 GLU 28 8.504 -11.937 8.986 222 H ALA 29 HN ALA 29 4.448 -11.630 5.824 223 HA ALA 29 HA ALA 29 4.578 -9.083 4.540 224 HB1 ALA 29 HB1 ALA 29 2.908 -11.543 3.869 225 HB2 ALA 29 HB2 ALA 29 3.326 -10.232 2.754 226 HB3 ALA 29 HB3 ALA 29 4.586 -11.306 3.395 227 H ASN 30 HN ASN 30 2.179 -10.516 6.602 228 HA ASN 30 HA ASN 30 -0.062 -8.749 5.764 229 HB2 ASN 30 HB2 ASN 30 0.221 -11.007 7.781 230 HB3 ASN 30 HB3 ASN 30 -1.069 -9.839 7.947 231 HD21 ASN 30 HD21 ASN 30 -1.175 -12.735 7.423 232 HD22 ASN 30 HD22 ASN 30 -2.132 -12.917 5.967 233 H ALA 31 HN ALA 31 2.182 -9.365 8.450 234 HA ALA 31 HA ALA 31 1.307 -7.407 10.276 235 HB1 ALA 31 HB1 ALA 31 2.852 -9.237 10.860 236 HB2 ALA 31 HB2 ALA 31 4.096 -8.556 9.792 237 HB3 ALA 31 HB3 ALA 31 3.579 -7.662 11.222 238 H TYR 32 HN TYR 32 3.849 -7.323 7.740 239 HA TYR 32 HA TYR 32 4.456 -4.542 8.033 240 HB2 TYR 32 HB2 TYR 32 5.952 -6.046 6.963 241 HB3 TYR 32 HB3 TYR 32 4.794 -6.436 5.690 242 HD1 TYR 32 HD1 TYR 32 6.974 -3.691 7.113 243 HD2 TYR 32 HD2 TYR 32 4.452 -4.933 3.831 244 HE1 TYR 32 HE1 TYR 32 7.863 -1.859 5.761 245 HE2 TYR 32 HE2 TYR 32 5.240 -2.941 2.534 246 HH TYR 32 HH TYR 32 7.962 -1.289 2.978 247 H ALA 33 HN ALA 33 2.048 -6.242 5.938 248 HA ALA 33 HA ALA 33 1.278 -3.929 4.551 249 HB1 ALA 33 HB1 ALA 33 -0.820 -5.174 4.033 250 HB2 ALA 33 HB2 ALA 33 0.631 -6.164 3.813 251 HB3 ALA 33 HB3 ALA 33 -0.394 -6.384 5.256 252 H ALA 34 HN ALA 34 0.799 -4.521 7.922 253 HA ALA 34 HA ALA 34 -1.537 -2.739 8.133 254 HB1 ALA 34 HB1 ALA 34 0.371 -3.614 10.319 255 HB2 ALA 34 HB2 ALA 34 -1.227 -2.889 10.505 256 HB3 ALA 34 HB3 ALA 34 -1.080 -4.526 9.838 257 H GLU 35 HN GLU 35 2.054 -2.455 8.039 258 HA GLU 35 HA GLU 35 2.199 0.100 9.329 259 HB2 GLU 35 HB2 GLU 35 4.035 -0.930 7.144 260 HB3 GLU 35 HB3 GLU 35 4.303 0.379 8.296 261 HG2 GLU 35 HG2 GLU 35 4.408 -1.289 10.142 262 HG3 GLU 35 HG3 GLU 35 4.336 -2.569 8.924 263 H VAL 36 HN VAL 36 1.667 -0.922 5.943 264 HA VAL 36 HA VAL 36 1.985 1.778 4.945 265 HB VAL 36 HB VAL 36 0.726 -0.588 3.519 266 HG11 VAL 36 HG11 VAL 36 2.160 1.903 2.535 267 HG12 VAL 36 HG12 VAL 36 1.803 0.495 1.503 268 HG13 VAL 36 HG13 VAL 36 0.474 1.406 2.235 269 HG21 VAL 36 HG21 VAL 36 3.615 -0.100 4.163 270 HG22 VAL 36 HG22 VAL 36 2.687 -1.594 4.234 271 HG23 VAL 36 HG23 VAL 36 3.162 -0.948 2.663 272 H VAL 37 HN VAL 37 -0.689 -0.038 6.214 273 HA VAL 37 HA VAL 37 -2.780 1.854 5.335 274 HB VAL 37 HB VAL 37 -2.631 -0.249 7.552 275 HG11 VAL 37 HG11 VAL 37 -5.108 0.031 7.755 276 HG12 VAL 37 HG12 VAL 37 -4.203 1.462 8.283 277 HG13 VAL 37 HG13 VAL 37 -4.999 1.463 6.705 278 HG21 VAL 37 HG21 VAL 37 -3.955 -1.661 6.227 279 HG22 VAL 37 HG22 VAL 37 -4.300 -0.383 5.024 280 HG23 VAL 37 HG23 VAL 37 -2.681 -1.102 5.162 281 H LYS 38 HN LYS 38 -0.420 1.453 8.019 282 HA LYS 38 HA LYS 38 -1.367 3.820 9.316 283 HB2 LYS 38 HB2 LYS 38 0.381 1.669 9.960 284 HB3 LYS 38 HB3 LYS 38 1.463 3.056 9.748 285 HG2 LYS 38 HG2 LYS 38 -0.024 4.368 11.294 286 HG3 LYS 38 HG3 LYS 38 -1.024 2.909 11.461 287 HD2 LYS 38 HD2 LYS 38 1.926 2.623 11.992 288 HD3 LYS 38 HD3 LYS 38 1.051 3.595 13.154 289 HE2 LYS 38 HE2 LYS 38 0.278 0.746 12.367 290 HE3 LYS 38 HE3 LYS 38 1.249 1.188 13.774 291 HZ1 LYS 38 HZ1 LYS 38 -0.924 1.058 14.607 292 HZ2 LYS 38 HZ2 LYS 38 -1.602 1.771 13.323 293 HZ3 LYS 38 HZ3 LYS 38 -0.713 2.679 14.361 294 H ALA 39 HN ALA 39 0.553 5.485 9.618 295 HA ALA 39 HA ALA 39 1.339 7.316 8.692 296 HB1 ALA 39 HB1 ALA 39 2.952 5.390 6.986 297 HB2 ALA 39 HB2 ALA 39 3.440 6.945 7.664 298 HB3 ALA 39 HB3 ALA 39 3.215 5.573 8.752 299 H ASP 40 HN ASP 40 -1.130 6.654 7.372 300 HA ASP 40 HA ASP 40 -0.717 8.026 4.800 301 HB2 ASP 40 HB2 ASP 40 -2.865 7.164 4.170 302 HB3 ASP 40 HB3 ASP 40 -1.884 5.804 4.719 303 H PHE 41 HN PHE 41 -1.236 8.586 7.972 304 HA PHE 41 HA PHE 41 -3.591 10.234 7.997 305 HB2 PHE 41 HB2 PHE 41 -1.419 9.853 10.079 306 HB3 PHE 41 HB3 PHE 41 -2.988 10.600 10.346 307 HD1 PHE 41 HD2 PHE 41 -5.082 9.251 10.329 308 HD2 PHE 41 HD1 PHE 41 -1.187 7.428 9.959 309 HE1 PHE 41 HE2 PHE 41 -6.056 7.031 10.888 310 HE2 PHE 41 HE1 PHE 41 -2.200 5.216 10.473 311 HZ PHE 41 HZ PHE 41 -4.609 5.017 10.958 312 H GLU 42 HN GLU 42 -3.636 12.438 8.549 313 HA GLU 42 HA GLU 42 -3.150 14.558 8.887 314 HB2 GLU 42 HB2 GLU 42 -0.325 13.670 9.560 315 HB3 GLU 42 HB3 GLU 42 -1.056 15.231 9.918 316 HG2 GLU 42 HG2 GLU 42 -2.934 13.806 11.105 317 HG3 GLU 42 HG3 GLU 42 -1.753 12.496 11.045 318 H GLU 43 HN GLU 43 -0.441 13.245 6.782 319 HA GLU 43 HA GLU 43 0.006 15.691 5.423 320 HB2 GLU 43 HB2 GLU 43 1.344 13.369 5.772 321 HB3 GLU 43 HB3 GLU 43 0.433 12.896 4.339 322 HG2 GLU 43 HG2 GLU 43 2.278 13.705 3.337 323 HG3 GLU 43 HG3 GLU 43 1.381 15.224 3.416 324 H ALA 44 HN ALA 44 -0.313 15.595 2.903 325 HA ALA 44 HA ALA 44 -3.031 15.174 2.001 326 HB1 ALA 44 HB1 ALA 44 -0.329 15.296 0.565 327 HB2 ALA 44 HB2 ALA 44 -1.888 15.143 -0.256 328 HB3 ALA 44 HB3 ALA 44 -1.526 16.599 0.695 329 H GLY 45 HN GLY 45 -3.919 13.237 1.571 330 HA2 GLY 45 HA2 GLY 45 -3.185 11.067 2.888 331 HA3 GLY 45 HA1 GLY 45 -4.388 11.059 1.612 332 H HIS 46 HN HIS 46 -1.195 11.510 0.452 333 HA HIS 46 HA HIS 46 -0.388 8.779 0.575 334 HB2 HIS 46 HB2 HIS 46 -0.134 8.345 -1.848 335 HB3 HIS 46 HB3 HIS 46 -1.814 8.482 -1.339 336 HD1 HIS 46 HD1 HIS 46 0.803 10.961 -2.898 337 HD2 HIS 46 HD2 HIS 46 -3.256 9.847 -2.911 338 HE1 HIS 46 HE1 HIS 46 -0.334 12.546 -4.483 339 H GLU 47 HN GLU 47 0.496 11.846 0.936 340 HA GLU 47 HA GLU 47 2.817 11.936 -0.824 341 HB2 GLU 47 HB2 GLU 47 1.494 13.790 1.106 342 HB3 GLU 47 HB3 GLU 47 3.242 13.935 1.019 343 HG2 GLU 47 HG2 GLU 47 1.329 14.122 -1.347 344 HG3 GLU 47 HG3 GLU 47 2.183 15.470 -0.569 345 H ASP 48 HN ASP 48 2.375 11.707 2.739 346 HA ASP 48 HA ASP 48 5.168 11.230 3.209 347 HB2 ASP 48 HB2 ASP 48 4.592 11.182 5.471 348 HB3 ASP 48 HB3 ASP 48 3.460 12.311 4.790 349 H VAL 49 HN VAL 49 2.366 9.149 2.681 350 HA VAL 49 HA VAL 49 3.267 6.618 3.318 351 HB VAL 49 HB VAL 49 1.747 7.598 0.875 352 HG11 VAL 49 HG11 VAL 49 2.600 5.366 0.325 353 HG12 VAL 49 HG12 VAL 49 1.987 4.734 1.868 354 HG13 VAL 49 HG13 VAL 49 0.869 5.318 0.608 355 HG21 VAL 49 HG21 VAL 49 0.743 6.324 3.450 356 HG22 VAL 49 HG22 VAL 49 0.709 8.045 3.105 357 HG23 VAL 49 HG23 VAL 49 -0.258 6.951 2.111 358 H MET 50 HN MET 50 4.194 8.540 0.366 359 HA MET 50 HA MET 50 5.504 6.254 -0.760 360 HB2 MET 50 HB2 MET 50 6.248 9.092 -1.484 361 HB3 MET 50 HB3 MET 50 6.407 7.623 -2.443 362 HG2 MET 50 HG2 MET 50 4.011 9.273 -1.855 363 HG3 MET 50 HG3 MET 50 4.640 8.735 -3.391 364 HE1 MET 50 HE1 MET 50 4.229 5.934 -4.210 365 HE2 MET 50 HE2 MET 50 4.747 5.352 -2.603 366 HE3 MET 50 HE3 MET 50 3.152 4.891 -3.239 367 H ARG 51 HN ARG 51 6.687 8.890 1.332 368 HA ARG 51 HA ARG 51 9.483 8.174 1.273 369 HB2 ARG 51 HB2 ARG 51 7.639 9.725 3.110 370 HB3 ARG 51 HB3 ARG 51 9.253 9.289 3.619 371 HG2 ARG 51 HG2 ARG 51 9.320 11.478 2.730 372 HG3 ARG 51 HG3 ARG 51 10.188 10.442 1.614 373 HD2 ARG 51 HD2 ARG 51 8.666 10.802 -0.100 374 HD3 ARG 51 HD3 ARG 51 7.281 10.767 1.003 375 HE ARG 51 HE ARG 51 7.275 12.975 1.222 376 HH11 ARG 51 HH11 ARG 51 10.482 12.138 -0.164 377 HH12 ARG 51 HH12 ARG 51 10.891 13.812 -0.405 378 HH21 ARG 51 HH21 ARG 51 7.804 15.066 0.709 379 HH22 ARG 51 HH22 ARG 51 9.394 15.528 0.167 380 H LYS 52 HN LYS 52 6.677 7.212 3.343 381 HA LYS 52 HA LYS 52 8.143 5.599 5.097 382 HB2 LYS 52 HB2 LYS 52 5.783 6.337 5.407 383 HB3 LYS 52 HB3 LYS 52 5.249 5.143 4.239 384 HG2 LYS 52 HG2 LYS 52 6.982 3.994 6.360 385 HG3 LYS 52 HG3 LYS 52 5.575 4.801 7.021 386 HD2 LYS 52 HD2 LYS 52 4.063 3.344 6.135 387 HD3 LYS 52 HD3 LYS 52 5.040 2.953 4.738 388 HE2 LYS 52 HE2 LYS 52 5.636 1.999 7.593 389 HE3 LYS 52 HE3 LYS 52 4.768 1.055 6.375 390 HZ1 LYS 52 HZ1 LYS 52 7.589 1.870 6.135 391 HZ2 LYS 52 HZ2 LYS 52 6.700 1.054 5.011 392 HZ3 LYS 52 HZ3 LYS 52 7.020 0.410 6.517 393 H VAL 53 HN VAL 53 6.670 4.618 1.944 394 HA VAL 53 HA VAL 53 7.680 1.884 2.261 395 HB VAL 53 HB VAL 53 5.553 2.595 1.039 396 HG11 VAL 53 HG11 VAL 53 7.433 3.127 -1.296 397 HG12 VAL 53 HG12 VAL 53 5.656 3.202 -1.285 398 HG13 VAL 53 HG13 VAL 53 6.586 4.388 -0.392 399 HG21 VAL 53 HG21 VAL 53 6.443 0.329 0.924 400 HG22 VAL 53 HG22 VAL 53 5.752 0.836 -0.630 401 HG23 VAL 53 HG23 VAL 53 7.514 0.782 -0.417 402 H LEU 54 HN LEU 54 8.839 4.814 0.523 403 HA LEU 54 HA LEU 54 10.742 3.284 -0.986 404 HB2 LEU 54 HB2 LEU 54 10.262 6.241 -0.524 405 HB3 LEU 54 HB3 LEU 54 11.807 5.761 -1.090 406 HG LEU 54 HG LEU 54 10.707 6.309 -3.006 407 HD11 LEU 54 HD11 LEU 54 10.201 3.338 -3.129 408 HD12 LEU 54 HD12 LEU 54 11.848 4.026 -3.097 409 HD13 LEU 54 HD13 LEU 54 10.747 4.436 -4.404 410 HD21 LEU 54 HD21 LEU 54 8.255 4.807 -2.225 411 HD22 LEU 54 HD22 LEU 54 8.544 5.540 -3.815 412 HD23 LEU 54 HD23 LEU 54 8.469 6.552 -2.373 413 H GLY 55 HN GLY 55 10.983 5.181 2.049 414 HA2 GLY 55 HA2 GLY 55 13.763 4.766 2.538 415 HA3 GLY 55 HA1 GLY 55 12.486 5.009 3.767 416 H ASP 56 HN ASP 56 10.826 2.845 3.490 417 HA ASP 56 HA ASP 56 12.396 0.765 4.714 418 HB2 ASP 56 HB2 ASP 56 9.474 1.126 3.965 419 HB3 ASP 56 HB3 ASP 56 10.043 -0.439 4.463 420 H LEU 57 HN LEU 57 12.042 1.438 1.382 421 HA LEU 57 HA LEU 57 12.200 -1.430 0.622 422 HB2 LEU 57 HB2 LEU 57 11.962 1.154 -0.908 423 HB3 LEU 57 HB3 LEU 57 12.837 -0.160 -1.672 424 HG LEU 57 HG LEU 57 9.991 -0.391 -0.641 425 HD11 LEU 57 HD11 LEU 57 11.095 -0.090 -3.474 426 HD12 LEU 57 HD12 LEU 57 10.178 1.125 -2.557 427 HD13 LEU 57 HD13 LEU 57 9.394 -0.384 -3.040 428 HD21 LEU 57 HD21 LEU 57 11.051 -2.619 -0.683 429 HD22 LEU 57 HD22 LEU 57 11.684 -2.307 -2.311 430 HD23 LEU 57 HD23 LEU 57 9.947 -2.479 -2.039 431 H ASP 58 HN ASP 58 14.258 1.165 1.666 432 HA ASP 58 HA ASP 58 16.503 1.364 1.803 433 HB2 ASP 58 HB2 ASP 58 16.098 -0.566 3.206 434 HB3 ASP 58 HB3 ASP 58 16.149 -1.634 1.849 435 H GLY 59 HN GLY 59 15.489 1.721 -0.722 436 HA2 GLY 59 HA2 GLY 59 16.270 2.146 -2.853 437 HA3 GLY 59 HA1 GLY 59 17.834 1.514 -2.345 438 H LYS 60 HN LYS 60 15.331 -0.890 -1.885 439 HA LYS 60 HA LYS 60 16.566 -2.654 -3.561 440 HB2 LYS 60 HB2 LYS 60 14.000 -2.489 -2.189 441 HB3 LYS 60 HB3 LYS 60 14.092 -3.647 -3.455 442 HG2 LYS 60 HG2 LYS 60 16.206 -4.574 -2.327 443 HG3 LYS 60 HG3 LYS 60 15.781 -3.564 -0.924 444 HD2 LYS 60 HD2 LYS 60 13.639 -4.733 -0.707 445 HD3 LYS 60 HD3 LYS 60 13.865 -5.507 -2.263 446 HE2 LYS 60 HE2 LYS 60 14.232 -7.189 -0.682 447 HE3 LYS 60 HE3 LYS 60 15.797 -6.798 -1.414 448 HZ1 LYS 60 HZ1 LYS 60 16.044 -7.032 0.926 449 HZ2 LYS 60 HZ2 LYS 60 14.849 -5.990 1.274 450 HZ3 LYS 60 HZ3 LYS 60 16.251 -5.446 0.614 451 H ARG 61 HN ARG 61 14.005 -0.344 -4.479 452 HA ARG 61 HA ARG 61 14.091 -1.306 -7.229 453 HB2 ARG 61 HB2 ARG 61 11.589 -1.270 -5.495 454 HB3 ARG 61 HB3 ARG 61 11.482 -1.104 -7.244 455 HG2 ARG 61 HG2 ARG 61 12.769 -3.488 -5.836 456 HG3 ARG 61 HG3 ARG 61 11.120 -3.442 -6.405 457 HD2 ARG 61 HD2 ARG 61 11.883 -3.014 -8.717 458 HD3 ARG 61 HD3 ARG 61 13.563 -3.101 -8.198 459 HE ARG 61 HE ARG 61 12.907 -5.463 -7.369 460 HH11 ARG 61 HH11 ARG 61 11.765 -3.959 -10.432 461 HH12 ARG 61 HH12 ARG 61 11.616 -5.474 -11.238 462 HH21 ARG 61 HH21 ARG 61 12.397 -7.412 -8.348 463 HH22 ARG 61 HH22 ARG 61 11.739 -7.489 -9.944 464 HA PRO 62 HA PRO 62 13.818 2.993 -8.070 465 HB2 PRO 62 HB2 PRO 62 12.311 3.030 -10.417 466 HB3 PRO 62 HB3 PRO 62 14.051 2.579 -10.336 467 HG2 PRO 62 HG2 PRO 62 11.600 0.829 -10.382 468 HG3 PRO 62 HG3 PRO 62 13.109 0.621 -11.321 469 HD2 PRO 62 HD2 PRO 62 12.613 -0.783 -9.067 470 HD3 PRO 62 HD3 PRO 62 14.256 -0.183 -9.411 471 H GLU 63 HN GLU 63 12.459 4.717 -7.689 472 HA GLU 63 HA GLU 63 9.996 4.437 -6.379 473 HB2 GLU 63 HB2 GLU 63 11.448 6.505 -6.398 474 HB3 GLU 63 HB3 GLU 63 10.959 6.776 -8.075 475 HG2 GLU 63 HG2 GLU 63 8.490 6.526 -6.852 476 HG3 GLU 63 HG3 GLU 63 9.413 7.101 -5.509 477 H ALA 64 HN ALA 64 10.628 4.923 -9.897 478 HA ALA 64 HA ALA 64 7.932 5.443 -10.532 479 HB1 ALA 64 HB1 ALA 64 10.082 4.125 -12.248 480 HB2 ALA 64 HB2 ALA 64 8.541 4.742 -12.861 481 HB3 ALA 64 HB3 ALA 64 9.711 5.853 -12.143 482 H GLU 65 HN GLU 65 9.593 2.201 -10.452 483 HA GLU 65 HA GLU 65 7.307 0.767 -11.339 484 HB2 GLU 65 HB2 GLU 65 9.774 0.046 -11.246 485 HB3 GLU 65 HB3 GLU 65 9.524 -0.310 -9.550 486 HG2 GLU 65 HG2 GLU 65 7.867 -2.014 -10.101 487 HG3 GLU 65 HG3 GLU 65 7.814 -1.490 -11.782 488 H VAL 66 HN VAL 66 8.185 2.043 -8.226 489 HA VAL 66 HA VAL 66 6.245 0.552 -6.639 490 HB VAL 66 HB VAL 66 8.001 2.980 -6.032 491 HG11 VAL 66 HG11 VAL 66 6.124 2.919 -4.461 492 HG12 VAL 66 HG12 VAL 66 6.492 1.214 -4.090 493 HG13 VAL 66 HG13 VAL 66 7.649 2.495 -3.672 494 HG21 VAL 66 HG21 VAL 66 9.218 0.780 -6.554 495 HG22 VAL 66 HG22 VAL 66 9.529 1.501 -4.988 496 HG23 VAL 66 HG23 VAL 66 8.423 0.114 -5.126 497 H ARG 67 HN ARG 67 6.451 3.843 -8.090 498 HA ARG 67 HA ARG 67 4.043 4.912 -6.998 499 HB2 ARG 67 HB2 ARG 67 5.235 5.499 -9.755 500 HB3 ARG 67 HB3 ARG 67 4.041 6.475 -8.911 501 HG2 ARG 67 HG2 ARG 67 6.362 6.084 -7.227 502 HG3 ARG 67 HG3 ARG 67 6.871 6.641 -8.813 503 HD2 ARG 67 HD2 ARG 67 6.587 8.611 -7.586 504 HD3 ARG 67 HD3 ARG 67 5.164 8.521 -8.620 505 HE ARG 67 HE ARG 67 4.975 7.398 -5.904 506 HH11 ARG 67 HH11 ARG 67 4.694 10.536 -7.511 507 HH12 ARG 67 HH12 ARG 67 3.185 10.944 -6.811 508 HH21 ARG 67 HH21 ARG 67 3.007 8.124 -4.711 509 HH22 ARG 67 HH22 ARG 67 2.601 9.772 -4.879 510 H ALA 68 HN ALA 68 4.685 3.226 -10.010 511 HA ALA 68 HA ALA 68 2.103 3.177 -11.145 512 HB1 ALA 68 HB1 ALA 68 3.919 2.283 -12.451 513 HB2 ALA 68 HB2 ALA 68 4.327 1.081 -11.209 514 HB3 ALA 68 HB3 ALA 68 2.832 0.930 -12.140 515 H LYS 69 HN LYS 69 3.564 0.679 -8.961 516 HA LYS 69 HA LYS 69 1.408 -0.913 -8.669 517 HB2 LYS 69 HB2 LYS 69 3.990 -0.737 -7.679 518 HB3 LYS 69 HB3 LYS 69 3.069 -0.403 -6.237 519 HG2 LYS 69 HG2 LYS 69 3.212 -2.765 -6.281 520 HG3 LYS 69 HG3 LYS 69 1.604 -2.477 -6.943 521 HD2 LYS 69 HD2 LYS 69 2.682 -4.091 -8.209 522 HD3 LYS 69 HD3 LYS 69 2.593 -2.679 -9.261 523 HE2 LYS 69 HE2 LYS 69 5.060 -2.789 -7.677 524 HE3 LYS 69 HE3 LYS 69 4.762 -4.285 -8.548 525 HZ1 LYS 69 HZ1 LYS 69 5.939 -3.132 -10.010 526 HZ2 LYS 69 HZ2 LYS 69 5.312 -1.634 -9.673 527 HZ3 LYS 69 HZ3 LYS 69 4.476 -2.755 -10.573 528 H TYR 70 HN TYR 70 2.081 2.079 -6.776 529 HA TYR 70 HA TYR 70 -0.099 1.509 -4.952 530 HB2 TYR 70 HB2 TYR 70 1.953 2.816 -4.355 531 HB3 TYR 70 HB3 TYR 70 1.373 4.130 -5.351 532 HD1 TYR 70 HD1 TYR 70 0.327 1.935 -2.399 533 HD2 TYR 70 HD2 TYR 70 -0.093 5.768 -4.404 534 HE1 TYR 70 HE1 TYR 70 -0.745 2.857 -0.425 535 HE2 TYR 70 HE2 TYR 70 -1.393 6.598 -2.503 536 HH TYR 70 HH TYR 70 -1.602 4.742 0.586 537 H GLU 71 HN GLU 71 0.365 3.858 -7.667 538 HA GLU 71 HA GLU 71 -2.206 5.069 -7.359 539 HB2 GLU 71 HB2 GLU 71 -0.303 4.899 -9.732 540 HB3 GLU 71 HB3 GLU 71 -1.759 5.910 -9.695 541 HG2 GLU 71 HG2 GLU 71 -0.188 6.471 -7.310 542 HG3 GLU 71 HG3 GLU 71 0.886 6.474 -8.701 543 H GLY 72 HN GLY 72 -1.090 2.336 -9.463 544 HA2 GLY 72 HA2 GLY 72 -3.510 1.997 -10.903 545 HA3 GLY 72 HA1 GLY 72 -2.268 0.771 -10.629 546 H LEU 73 HN LEU 73 -2.637 0.987 -7.642 547 HA LEU 73 HA LEU 73 -4.510 -1.119 -7.441 548 HB2 LEU 73 HB2 LEU 73 -2.537 0.161 -5.797 549 HB3 LEU 73 HB3 LEU 73 -4.002 0.161 -4.860 550 HG LEU 73 HG LEU 73 -4.178 -2.231 -4.858 551 HD11 LEU 73 HD11 LEU 73 -1.823 -2.230 -6.837 552 HD12 LEU 73 HD12 LEU 73 -3.443 -2.895 -7.124 553 HD13 LEU 73 HD13 LEU 73 -2.390 -3.671 -5.957 554 HD21 LEU 73 HD21 LEU 73 -1.642 -2.669 -4.026 555 HD22 LEU 73 HD22 LEU 73 -2.621 -1.403 -3.213 556 HD23 LEU 73 HD23 LEU 73 -1.408 -0.990 -4.400 557 H MET 74 HN MET 74 -5.121 2.282 -7.416 558 HA MET 74 HA MET 74 -7.175 2.357 -5.483 559 HB2 MET 74 HB2 MET 74 -6.128 4.322 -6.543 560 HB3 MET 74 HB3 MET 74 -6.962 3.967 -8.059 561 HG2 MET 74 HG2 MET 74 -9.102 4.425 -7.109 562 HG3 MET 74 HG3 MET 74 -8.482 4.312 -5.461 563 HE1 MET 74 HE1 MET 74 -8.020 7.885 -4.539 564 HE2 MET 74 HE2 MET 74 -9.279 6.637 -4.434 565 HE3 MET 74 HE3 MET 74 -7.575 6.227 -4.091 566 H ALA 75 HN ALA 75 -7.339 1.390 -8.931 567 HA ALA 75 HA ALA 75 -10.184 0.853 -8.830 568 HB1 ALA 75 HB1 ALA 75 -8.038 -0.120 -10.782 569 HB2 ALA 75 HB2 ALA 75 -9.794 -0.263 -10.995 570 HB3 ALA 75 HB3 ALA 75 -9.043 1.341 -10.966 571 H VAL 76 HN VAL 76 -7.227 -1.228 -8.736 572 HA VAL 76 HA VAL 76 -8.475 -3.695 -8.604 573 HB VAL 76 HB VAL 76 -5.912 -2.938 -7.126 574 HG11 VAL 76 HG11 VAL 76 -6.825 -5.623 -8.248 575 HG12 VAL 76 HG12 VAL 76 -5.244 -5.289 -7.516 576 HG13 VAL 76 HG13 VAL 76 -6.703 -5.202 -6.530 577 HG21 VAL 76 HG21 VAL 76 -5.718 -2.228 -9.456 578 HG22 VAL 76 HG22 VAL 76 -4.711 -3.648 -9.167 579 HG23 VAL 76 HG23 VAL 76 -6.260 -3.831 -10.006 580 H ALA 77 HN ALA 77 -7.468 -1.651 -5.829 581 HA ALA 77 HA ALA 77 -8.130 -3.428 -3.803 582 HB1 ALA 77 HB1 ALA 77 -8.129 -0.402 -3.875 583 HB2 ALA 77 HB2 ALA 77 -8.168 -1.397 -2.396 584 HB3 ALA 77 HB3 ALA 77 -6.773 -1.481 -3.514 585 H LYS 78 HN LYS 78 -10.090 -0.988 -5.524 586 HA LYS 78 HA LYS 78 -12.462 -1.272 -3.855 587 HB2 LYS 78 HB2 LYS 78 -11.754 0.136 -6.474 588 HB3 LYS 78 HB3 LYS 78 -13.429 -0.102 -6.039 589 HG2 LYS 78 HG2 LYS 78 -12.808 1.020 -3.744 590 HG3 LYS 78 HG3 LYS 78 -11.347 1.550 -4.603 591 HD2 LYS 78 HD2 LYS 78 -12.938 3.322 -4.840 592 HD3 LYS 78 HD3 LYS 78 -12.854 2.495 -6.400 593 HE2 LYS 78 HE2 LYS 78 -14.882 1.063 -5.387 594 HE3 LYS 78 HE3 LYS 78 -15.051 2.441 -4.300 595 HZ1 LYS 78 HZ1 LYS 78 -16.416 2.765 -6.224 596 HZ2 LYS 78 HZ2 LYS 78 -15.158 2.445 -7.242 597 HZ3 LYS 78 HZ3 LYS 78 -15.157 3.828 -6.349 598 H ALA 79 HN ALA 79 -11.371 -2.756 -6.956 599 HA ALA 79 HA ALA 79 -13.867 -4.101 -7.453 600 HB1 ALA 79 HB1 ALA 79 -12.504 -5.646 -8.804 601 HB2 ALA 79 HB2 ALA 79 -12.078 -3.960 -9.157 602 HB3 ALA 79 HB3 ALA 79 -11.015 -4.957 -8.142 603 H GLN 80 HN GLN 80 -10.852 -5.132 -5.793 604 HA GLN 80 HA GLN 80 -11.664 -7.583 -4.836 605 HB2 GLN 80 HB2 GLN 80 -9.845 -5.537 -3.500 606 HB3 GLN 80 HB3 GLN 80 -10.075 -7.190 -2.940 607 HG2 GLN 80 HG2 GLN 80 -9.354 -7.957 -5.274 608 HG3 GLN 80 HG3 GLN 80 -8.816 -6.317 -5.554 609 HE21 GLN 80 HE21 GLN 80 -7.051 -8.562 -5.532 610 HE22 GLN 80 HE22 GLN 80 -5.957 -8.332 -4.171 611 H LEU 81 HN LEU 81 -12.500 -4.416 -3.356 612 HA LEU 81 HA LEU 81 -13.377 -5.650 -0.894 613 HB2 LEU 81 HB2 LEU 81 -13.738 -2.925 -2.211 614 HB3 LEU 81 HB3 LEU 81 -14.736 -3.314 -0.830 615 HG LEU 81 HG LEU 81 -11.734 -3.483 -0.711 616 HD11 LEU 81 HD11 LEU 81 -11.776 -1.288 0.370 617 HD12 LEU 81 HD12 LEU 81 -13.523 -1.166 0.094 618 HD13 LEU 81 HD13 LEU 81 -12.384 -1.186 -1.285 619 HD21 LEU 81 HD21 LEU 81 -13.890 -3.318 1.441 620 HD22 LEU 81 HD22 LEU 81 -12.151 -3.292 1.754 621 HD23 LEU 81 HD23 LEU 81 -12.904 -4.737 1.065 622 H MET 82 HN MET 82 -14.968 -4.863 -3.939 623 HA MET 82 HA MET 82 -17.682 -5.403 -2.925 624 HB2 MET 82 HB2 MET 82 -16.649 -5.406 -5.787 625 HB3 MET 82 HB3 MET 82 -18.340 -5.280 -5.270 626 HG2 MET 82 HG2 MET 82 -16.166 -3.243 -4.647 627 HG3 MET 82 HG3 MET 82 -17.228 -3.146 -6.009 628 HE1 MET 82 HE1 MET 82 -17.638 -3.573 -1.929 629 HE2 MET 82 HE2 MET 82 -16.473 -2.337 -2.447 630 HE3 MET 82 HE3 MET 82 -18.018 -1.863 -1.696 631 H ASP 83 HN ASP 83 -15.134 -7.088 -4.658 632 HA ASP 83 HA ASP 83 -16.462 -9.541 -5.153 633 HB2 ASP 83 HB2 ASP 83 -14.603 -8.485 -6.424 634 HB3 ASP 83 HB3 ASP 83 -13.536 -8.709 -5.046 635 H GLU 84 HN GLU 84 -14.578 -8.379 -2.366 636 HA GLU 84 HA GLU 84 -13.967 -10.908 -1.272 637 HB2 GLU 84 HB2 GLU 84 -13.115 -9.776 0.564 638 HB3 GLU 84 HB3 GLU 84 -12.832 -8.728 -0.731 639 HG2 GLU 84 HG2 GLU 84 -13.890 -7.104 0.372 640 HG3 GLU 84 HG3 GLU 84 -15.367 -8.024 0.341 641 H LEU 85 HN LEU 85 -16.930 -9.334 -1.262 642 HA LEU 85 HA LEU 85 -17.843 -10.335 1.358 643 HB2 LEU 85 HB2 LEU 85 -18.453 -8.065 0.275 644 HB3 LEU 85 HB3 LEU 85 -19.556 -8.958 -0.763 645 HG LEU 85 HG LEU 85 -19.620 -9.019 2.296 646 HD11 LEU 85 HD11 LEU 85 -21.230 -7.343 0.331 647 HD12 LEU 85 HD12 LEU 85 -20.062 -6.782 1.584 648 HD13 LEU 85 HD13 LEU 85 -21.592 -7.503 2.059 649 HD21 LEU 85 HD21 LEU 85 -20.763 -10.971 1.436 650 HD22 LEU 85 HD22 LEU 85 -21.663 -9.959 0.266 651 HD23 LEU 85 HD23 LEU 85 -21.934 -9.797 2.037 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -20.122 8.105 -1.506 2 HA2 GLY 1 HA2 GLY 1 -18.410 8.686 0.112 3 HA3 GLY 1 HA1 GLY 1 -19.391 7.338 0.719 4 H MET 2 HN MET 2 -18.391 5.412 1.126 5 HA MET 2 HA MET 2 -16.920 3.836 1.437 6 HB2 MET 2 HB2 MET 2 -16.242 2.683 -0.470 7 HB3 MET 2 HB3 MET 2 -17.802 3.414 -0.803 8 HG2 MET 2 HG2 MET 2 -15.252 4.759 -1.734 9 HG3 MET 2 HG3 MET 2 -15.901 3.367 -2.591 10 HE1 MET 2 HE1 MET 2 -15.288 6.183 -3.905 11 HE2 MET 2 HE2 MET 2 -15.882 4.776 -4.809 12 HE3 MET 2 HE3 MET 2 -16.695 6.345 -4.990 13 H GLN 3 HN GLN 3 -15.419 6.717 1.225 14 HA GLN 3 HA GLN 3 -12.928 6.347 0.287 15 HB2 GLN 3 HB2 GLN 3 -14.364 8.379 1.378 16 HB3 GLN 3 HB3 GLN 3 -13.228 8.138 2.696 17 HG2 GLN 3 HG2 GLN 3 -12.437 8.604 -0.227 18 HG3 GLN 3 HG3 GLN 3 -12.675 9.902 0.944 19 HE21 GLN 3 HE21 GLN 3 -10.194 8.592 -0.572 20 HE22 GLN 3 HE22 GLN 3 -9.031 8.525 0.753 21 H PHE 4 HN PHE 4 -13.998 5.202 3.284 22 HA PHE 4 HA PHE 4 -11.422 4.884 4.716 23 HB2 PHE 4 HB2 PHE 4 -14.147 5.333 5.371 24 HB3 PHE 4 HB3 PHE 4 -13.659 3.836 6.161 25 HD1 PHE 4 HD2 PHE 4 -12.126 7.189 5.377 26 HD2 PHE 4 HD1 PHE 4 -13.058 4.236 8.369 27 HE1 PHE 4 HE2 PHE 4 -11.202 8.664 7.084 28 HE2 PHE 4 HE1 PHE 4 -12.168 5.784 10.145 29 HZ PHE 4 HZ PHE 4 -11.291 8.014 9.495 30 H LYS 5 HN LYS 5 -14.268 3.058 3.532 31 HA LYS 5 HA LYS 5 -13.186 0.430 4.125 32 HB2 LYS 5 HB2 LYS 5 -15.364 1.481 2.335 33 HB3 LYS 5 HB3 LYS 5 -14.706 -0.111 1.963 34 HG2 LYS 5 HG2 LYS 5 -15.762 0.688 4.719 35 HG3 LYS 5 HG3 LYS 5 -16.679 -0.177 3.477 36 HD2 LYS 5 HD2 LYS 5 -15.943 -2.099 4.403 37 HD3 LYS 5 HD3 LYS 5 -14.427 -1.756 3.599 38 HE2 LYS 5 HE2 LYS 5 -13.543 -1.906 5.650 39 HE3 LYS 5 HE3 LYS 5 -14.086 -0.229 5.846 40 HZ1 LYS 5 HZ1 LYS 5 -14.742 -1.646 7.684 41 HZ2 LYS 5 HZ2 LYS 5 -15.546 -2.669 6.700 42 HZ3 LYS 5 HZ3 LYS 5 -16.099 -1.136 6.900 43 H ALA 6 HN ALA 6 -13.114 2.520 1.262 44 HA ALA 6 HA ALA 6 -11.334 0.939 -0.246 45 HB1 ALA 6 HB1 ALA 6 -11.168 2.967 -1.638 46 HB2 ALA 6 HB2 ALA 6 -12.840 2.697 -1.160 47 HB3 ALA 6 HB3 ALA 6 -11.870 3.949 -0.349 48 H GLU 7 HN GLU 7 -10.671 3.426 2.299 49 HA GLU 7 HA GLU 7 -8.030 3.967 1.575 50 HB2 GLU 7 HB2 GLU 7 -7.929 5.171 3.530 51 HB3 GLU 7 HB3 GLU 7 -9.656 4.835 3.626 52 HG2 GLU 7 HG2 GLU 7 -9.177 2.881 5.103 53 HG3 GLU 7 HG3 GLU 7 -7.494 3.363 5.137 54 H ALA 8 HN ALA 8 -9.030 1.522 3.957 55 HA ALA 8 HA ALA 8 -6.287 0.887 4.300 56 HB1 ALA 8 HB1 ALA 8 -8.086 0.830 6.076 57 HB2 ALA 8 HB2 ALA 8 -8.560 -0.758 5.422 58 HB3 ALA 8 HB3 ALA 8 -6.935 -0.501 6.081 59 H ARG 9 HN ARG 9 -8.748 -0.582 2.237 60 HA ARG 9 HA ARG 9 -7.102 -2.895 1.718 61 HB2 ARG 9 HB2 ARG 9 -9.597 -2.789 1.313 62 HB3 ARG 9 HB3 ARG 9 -9.293 -1.785 -0.087 63 HG2 ARG 9 HG2 ARG 9 -9.636 -4.184 -0.641 64 HG3 ARG 9 HG3 ARG 9 -8.048 -3.636 -1.157 65 HD2 ARG 9 HD2 ARG 9 -6.935 -4.809 0.563 66 HD3 ARG 9 HD3 ARG 9 -8.377 -4.927 1.562 67 HE ARG 9 HE ARG 9 -7.753 -6.559 -0.866 68 HH11 ARG 9 HH11 ARG 9 -9.856 -6.104 2.017 69 HH12 ARG 9 HH12 ARG 9 -10.571 -7.651 1.847 70 HH21 ARG 9 HH21 ARG 9 -8.576 -8.601 -0.959 71 HH22 ARG 9 HH22 ARG 9 -9.685 -9.165 0.285 72 H ARG 10 HN ARG 10 -7.325 0.374 0.254 73 HA ARG 10 HA ARG 10 -5.589 -0.132 -2.001 74 HB2 ARG 10 HB2 ARG 10 -7.003 1.922 -1.711 75 HB3 ARG 10 HB3 ARG 10 -5.994 2.452 -0.378 76 HG2 ARG 10 HG2 ARG 10 -4.135 1.994 -2.448 77 HG3 ARG 10 HG3 ARG 10 -5.546 2.535 -3.328 78 HD2 ARG 10 HD2 ARG 10 -4.177 3.997 -1.049 79 HD3 ARG 10 HD3 ARG 10 -4.006 4.388 -2.772 80 HE ARG 10 HE ARG 10 -6.762 4.496 -1.897 81 HH11 ARG 10 HH11 ARG 10 -3.721 6.445 -1.728 82 HH12 ARG 10 HH12 ARG 10 -4.627 7.913 -1.494 83 HH21 ARG 10 HH21 ARG 10 -7.726 6.496 -1.136 84 HH22 ARG 10 HH22 ARG 10 -6.756 7.925 -1.201 85 H ASN 11 HN ASN 11 -4.975 1.234 1.230 86 HA ASN 11 HA ASN 11 -2.208 1.216 1.023 87 HB2 ASN 11 HB2 ASN 11 -3.945 1.116 3.509 88 HB3 ASN 11 HB3 ASN 11 -2.232 1.584 3.443 89 HD21 ASN 11 HD21 ASN 11 -3.662 3.606 4.598 90 HD22 ASN 11 HD22 ASN 11 -4.237 4.729 3.463 91 H LYS 12 HN LYS 12 -4.250 -1.389 2.608 92 HA LYS 12 HA LYS 12 -2.106 -3.043 3.383 93 HB2 LYS 12 HB2 LYS 12 -4.449 -3.417 4.089 94 HB3 LYS 12 HB3 LYS 12 -4.876 -3.925 2.449 95 HG2 LYS 12 HG2 LYS 12 -3.141 -5.796 2.715 96 HG3 LYS 12 HG3 LYS 12 -2.996 -5.296 4.411 97 HD2 LYS 12 HD2 LYS 12 -5.396 -5.863 4.766 98 HD3 LYS 12 HD3 LYS 12 -5.527 -6.345 3.056 99 HE2 LYS 12 HE2 LYS 12 -3.769 -8.036 3.374 100 HE3 LYS 12 HE3 LYS 12 -3.550 -7.563 5.051 101 HZ1 LYS 12 HZ1 LYS 12 -5.619 -8.553 5.605 102 HZ2 LYS 12 HZ2 LYS 12 -4.834 -9.572 4.612 103 HZ3 LYS 12 HZ3 LYS 12 -6.078 -8.708 4.020 104 H LEU 13 HN LEU 13 -3.890 -3.069 0.214 105 HA LEU 13 HA LEU 13 -2.493 -5.341 -0.769 106 HB2 LEU 13 HB2 LEU 13 -3.911 -3.041 -2.147 107 HB3 LEU 13 HB3 LEU 13 -3.072 -4.291 -3.077 108 HG LEU 13 HG LEU 13 -5.317 -4.916 -1.147 109 HD11 LEU 13 HD11 LEU 13 -6.683 -5.126 -3.174 110 HD12 LEU 13 HD12 LEU 13 -5.300 -4.705 -4.211 111 HD13 LEU 13 HD13 LEU 13 -5.980 -3.506 -3.103 112 HD21 LEU 13 HD21 LEU 13 -3.939 -6.592 -3.312 113 HD22 LEU 13 HD22 LEU 13 -5.240 -7.112 -2.215 114 HD23 LEU 13 HD23 LEU 13 -3.673 -6.777 -1.564 115 H MET 14 HN MET 14 -1.585 -1.812 -0.943 116 HA MET 14 HA MET 14 0.610 -2.191 -2.621 117 HB2 MET 14 HB2 MET 14 -0.337 -0.028 -1.977 118 HB3 MET 14 HB3 MET 14 0.127 -0.272 -0.288 119 HG2 MET 14 HG2 MET 14 1.749 1.168 -1.360 120 HG3 MET 14 HG3 MET 14 2.509 -0.356 -0.931 121 HE1 MET 14 HE1 MET 14 4.496 0.294 -2.481 122 HE2 MET 14 HE2 MET 14 4.272 0.972 -4.107 123 HE3 MET 14 HE3 MET 14 3.558 1.795 -2.684 124 H GLY 15 HN GLY 15 0.367 -2.300 0.964 125 HA2 GLY 15 HA2 GLY 15 3.020 -2.859 1.536 126 HA3 GLY 15 HA1 GLY 15 1.651 -3.367 2.530 127 H LEU 16 HN LEU 16 0.500 -5.193 0.499 128 HA LEU 16 HA LEU 16 2.115 -7.487 1.053 129 HB2 LEU 16 HB2 LEU 16 -0.292 -6.993 -0.724 130 HB3 LEU 16 HB3 LEU 16 0.455 -8.573 -0.579 131 HG LEU 16 HG LEU 16 -0.524 -7.014 1.854 132 HD11 LEU 16 HD11 LEU 16 -2.446 -7.368 0.437 133 HD12 LEU 16 HD12 LEU 16 -2.508 -8.540 1.762 134 HD13 LEU 16 HD13 LEU 16 -1.979 -9.061 0.152 135 HD21 LEU 16 HD21 LEU 16 1.092 -8.868 2.347 136 HD22 LEU 16 HD22 LEU 16 0.021 -10.003 1.504 137 HD23 LEU 16 HD23 LEU 16 -0.514 -9.187 2.977 138 H TRP 17 HN TRP 17 1.807 -5.507 -1.964 139 HA TRP 17 HA TRP 17 3.509 -7.240 -3.550 140 HB2 TRP 17 HB2 TRP 17 2.174 -5.544 -4.685 141 HB3 TRP 17 HB3 TRP 17 2.932 -4.260 -3.754 142 HD1 TRP 17 HD1 TRP 17 3.728 -6.736 -6.569 143 HE1 TRP 17 HE1 TRP 17 5.754 -5.926 -7.935 144 HE3 TRP 17 HE3 TRP 17 4.939 -2.638 -3.816 145 HZ2 TRP 17 HZ2 TRP 17 7.548 -3.661 -7.904 146 HZ3 TRP 17 HZ3 TRP 17 6.785 -1.147 -4.495 147 HH2 TRP 17 HH2 TRP 17 8.092 -1.641 -6.573 148 H VAL 18 HN VAL 18 4.111 -4.422 -1.443 149 HA VAL 18 HA VAL 18 6.910 -4.259 -1.912 150 HB VAL 18 HB VAL 18 5.199 -3.461 0.452 151 HG11 VAL 18 HG11 VAL 18 6.967 -1.875 0.994 152 HG12 VAL 18 HG12 VAL 18 7.553 -3.521 1.153 153 HG13 VAL 18 HG13 VAL 18 8.011 -2.552 -0.271 154 HG21 VAL 18 HG21 VAL 18 4.561 -2.353 -1.709 155 HG22 VAL 18 HG22 VAL 18 5.114 -1.264 -0.472 156 HG23 VAL 18 HG23 VAL 18 6.213 -1.711 -1.810 157 H ALA 19 HN ALA 19 5.067 -5.930 0.736 158 HA ALA 19 HA ALA 19 7.240 -6.962 2.162 159 HB1 ALA 19 HB1 ALA 19 5.570 -8.684 2.889 160 HB2 ALA 19 HB2 ALA 19 4.984 -7.023 3.002 161 HB3 ALA 19 HB3 ALA 19 4.441 -8.079 1.673 162 H GLU 20 HN GLU 20 5.565 -8.292 -0.728 163 HA GLU 20 HA GLU 20 7.074 -10.705 -0.934 164 HB2 GLU 20 HB2 GLU 20 4.964 -10.497 -1.963 165 HB3 GLU 20 HB3 GLU 20 5.390 -9.009 -2.807 166 HG2 GLU 20 HG2 GLU 20 6.900 -10.213 -4.292 167 HG3 GLU 20 HG3 GLU 20 6.570 -11.734 -3.444 168 H VAL 21 HN VAL 21 7.607 -7.436 -2.350 169 HA VAL 21 HA VAL 21 9.976 -8.097 -3.801 170 HB VAL 21 HB VAL 21 8.758 -5.529 -2.703 171 HG11 VAL 21 HG11 VAL 21 11.157 -5.064 -2.724 172 HG12 VAL 21 HG12 VAL 21 11.272 -5.632 -4.403 173 HG13 VAL 21 HG13 VAL 21 10.300 -4.189 -3.970 174 HG21 VAL 21 HG21 VAL 21 9.209 -6.405 -5.573 175 HG22 VAL 21 HG22 VAL 21 7.699 -6.679 -4.683 176 HG23 VAL 21 HG23 VAL 21 8.246 -5.034 -4.987 177 H LEU 22 HN LEU 22 9.425 -7.177 -0.426 178 HA LEU 22 HA LEU 22 12.264 -7.001 0.288 179 HB2 LEU 22 HB2 LEU 22 9.609 -6.813 1.723 180 HB3 LEU 22 HB3 LEU 22 11.043 -7.220 2.656 181 HG LEU 22 HG LEU 22 12.173 -5.193 2.077 182 HD11 LEU 22 HD11 LEU 22 11.126 -3.372 0.845 183 HD12 LEU 22 HD12 LEU 22 9.747 -4.401 0.422 184 HD13 LEU 22 HD13 LEU 22 11.364 -4.768 -0.210 185 HD21 LEU 22 HD21 LEU 22 9.276 -4.639 2.898 186 HD22 LEU 22 HD22 LEU 22 10.667 -3.567 3.184 187 HD23 LEU 22 HD23 LEU 22 10.605 -5.130 3.971 188 H GLY 23 HN GLY 23 10.174 -9.629 -0.423 189 HA2 GLY 23 HA2 GLY 23 10.542 -11.876 -0.237 190 HA3 GLY 23 HA1 GLY 23 12.070 -11.571 0.603 191 H LYS 24 HN LYS 24 9.363 -9.910 1.996 192 HA LYS 24 HA LYS 24 9.450 -11.479 4.467 193 HB2 LYS 24 HB2 LYS 24 7.550 -9.365 3.422 194 HB3 LYS 24 HB3 LYS 24 7.346 -10.127 4.974 195 HG2 LYS 24 HG2 LYS 24 9.419 -9.208 5.810 196 HG3 LYS 24 HG3 LYS 24 9.806 -8.499 4.226 197 HD2 LYS 24 HD2 LYS 24 7.825 -7.051 4.342 198 HD3 LYS 24 HD3 LYS 24 7.307 -7.809 5.838 199 HE2 LYS 24 HE2 LYS 24 9.849 -6.147 5.473 200 HE3 LYS 24 HE3 LYS 24 8.345 -5.596 6.231 201 HZ1 LYS 24 HZ1 LYS 24 10.179 -7.676 7.264 202 HZ2 LYS 24 HZ2 LYS 24 8.708 -7.384 7.898 203 HZ3 LYS 24 HZ3 LYS 24 9.843 -6.230 7.949 204 H SER 25 HN SER 25 7.693 -12.791 5.182 205 HA SER 25 HA SER 25 5.761 -13.783 3.187 206 HB2 SER 25 HB2 SER 25 7.971 -15.491 4.414 207 HB3 SER 25 HB3 SER 25 6.609 -16.140 3.497 208 HG SER 25 HG SER 25 8.650 -15.772 2.320 209 H GLY 26 HN GLY 26 4.347 -15.421 4.178 210 HA2 GLY 26 HA2 GLY 26 2.775 -15.904 5.781 211 HA3 GLY 26 HA1 GLY 26 4.154 -16.036 6.904 212 H ASP 27 HN ASP 27 3.635 -14.910 8.699 213 HA ASP 27 HA ASP 27 1.683 -12.830 8.497 214 HB2 ASP 27 HB2 ASP 27 2.774 -14.514 10.589 215 HB3 ASP 27 HB3 ASP 27 2.652 -12.834 11.115 216 H GLU 28 HN GLU 28 5.154 -12.735 8.618 217 HA GLU 28 HA GLU 28 5.591 -10.022 9.313 218 HB2 GLU 28 HB2 GLU 28 6.954 -12.198 7.871 219 HB3 GLU 28 HB3 GLU 28 7.294 -10.652 7.144 220 HG2 GLU 28 HG2 GLU 28 7.572 -11.230 10.109 221 HG3 GLU 28 HG3 GLU 28 8.851 -11.498 8.946 222 H ALA 29 HN ALA 29 4.461 -11.520 6.232 223 HA ALA 29 HA ALA 29 4.442 -9.003 4.812 224 HB1 ALA 29 HB1 ALA 29 4.608 -11.217 3.681 225 HB2 ALA 29 HB2 ALA 29 2.949 -11.590 4.191 226 HB3 ALA 29 HB3 ALA 29 3.253 -10.248 3.078 227 H ASN 30 HN ASN 30 2.394 -10.261 7.174 228 HA ASN 30 HA ASN 30 -0.061 -8.764 6.334 229 HB2 ASN 30 HB2 ASN 30 0.487 -10.662 8.645 230 HB3 ASN 30 HB3 ASN 30 -0.860 -9.536 8.688 231 HD21 ASN 30 HD21 ASN 30 -0.692 -12.586 8.590 232 HD22 ASN 30 HD22 ASN 30 -1.722 -13.026 7.235 233 H ALA 31 HN ALA 31 2.421 -8.987 8.926 234 HA ALA 31 HA ALA 31 1.657 -6.773 10.476 235 HB1 ALA 31 HB1 ALA 31 3.988 -6.870 11.307 236 HB2 ALA 31 HB2 ALA 31 3.270 -8.492 11.218 237 HB3 ALA 31 HB3 ALA 31 4.433 -7.956 9.982 238 H TYR 32 HN TYR 32 4.105 -6.966 7.839 239 HA TYR 32 HA TYR 32 4.724 -4.224 7.778 240 HB2 TYR 32 HB2 TYR 32 6.019 -5.911 6.588 241 HB3 TYR 32 HB3 TYR 32 4.677 -6.216 5.481 242 HD1 TYR 32 HD2 TYR 32 7.037 -3.607 6.740 243 HD2 TYR 32 HD1 TYR 32 4.310 -4.658 3.602 244 HE1 TYR 32 HE2 TYR 32 7.641 -1.530 5.569 245 HE2 TYR 32 HE1 TYR 32 4.915 -2.566 2.397 246 HH TYR 32 HH TYR 32 7.468 -0.715 2.847 247 H ALA 33 HN ALA 33 2.104 -5.967 6.045 248 HA ALA 33 HA ALA 33 1.214 -3.676 4.615 249 HB1 ALA 33 HB1 ALA 33 -0.373 -6.156 5.369 250 HB2 ALA 33 HB2 ALA 33 -0.739 -4.999 4.069 251 HB3 ALA 33 HB3 ALA 33 0.707 -6.014 3.965 252 H ALA 34 HN ALA 34 0.970 -4.232 8.010 253 HA ALA 34 HA ALA 34 -1.397 -2.514 8.317 254 HB1 ALA 34 HB1 ALA 34 0.559 -3.460 10.441 255 HB2 ALA 34 HB2 ALA 34 -1.027 -2.726 10.691 256 HB3 ALA 34 HB3 ALA 34 -0.906 -4.339 9.965 257 H GLU 35 HN GLU 35 2.187 -2.264 8.411 258 HA GLU 35 HA GLU 35 2.302 0.365 9.557 259 HB2 GLU 35 HB2 GLU 35 4.171 -0.756 7.415 260 HB3 GLU 35 HB3 GLU 35 4.455 0.562 8.550 261 HG2 GLU 35 HG2 GLU 35 4.224 -1.271 10.385 262 HG3 GLU 35 HG3 GLU 35 4.485 -2.404 9.062 263 H VAL 36 HN VAL 36 1.953 -0.800 6.199 264 HA VAL 36 HA VAL 36 2.231 1.756 4.992 265 HB VAL 36 HB VAL 36 0.769 -0.769 4.038 266 HG11 VAL 36 HG11 VAL 36 0.106 1.051 2.577 267 HG12 VAL 36 HG12 VAL 36 1.778 1.636 2.468 268 HG13 VAL 36 HG13 VAL 36 1.315 0.084 1.736 269 HG21 VAL 36 HG21 VAL 36 3.082 -1.288 4.583 270 HG22 VAL 36 HG22 VAL 36 2.972 -1.134 2.837 271 HG23 VAL 36 HG23 VAL 36 3.657 0.184 3.788 272 H VAL 37 HN VAL 37 -0.492 0.388 6.697 273 HA VAL 37 HA VAL 37 -2.527 2.155 5.551 274 HB VAL 37 HB VAL 37 -2.492 0.387 8.021 275 HG11 VAL 37 HG11 VAL 37 -5.033 0.560 7.797 276 HG12 VAL 37 HG12 VAL 37 -4.186 1.975 8.437 277 HG13 VAL 37 HG13 VAL 37 -4.749 1.975 6.753 278 HG21 VAL 37 HG21 VAL 37 -3.807 -0.068 5.319 279 HG22 VAL 37 HG22 VAL 37 -2.294 -0.822 5.853 280 HG23 VAL 37 HG23 VAL 37 -3.806 -1.173 6.696 281 H LYS 38 HN LYS 38 0.036 2.468 7.717 282 HA LYS 38 HA LYS 38 -0.982 4.921 9.077 283 HB2 LYS 38 HB2 LYS 38 0.524 2.491 9.818 284 HB3 LYS 38 HB3 LYS 38 1.483 3.939 10.162 285 HG2 LYS 38 HG2 LYS 38 -0.457 4.867 11.386 286 HG3 LYS 38 HG3 LYS 38 -1.324 3.334 11.125 287 HD2 LYS 38 HD2 LYS 38 1.461 3.262 12.298 288 HD3 LYS 38 HD3 LYS 38 0.191 3.857 13.341 289 HE2 LYS 38 HE2 LYS 38 0.273 1.126 12.004 290 HE3 LYS 38 HE3 LYS 38 0.639 1.485 13.695 291 HZ1 LYS 38 HZ1 LYS 38 -1.551 0.806 13.751 292 HZ2 LYS 38 HZ2 LYS 38 -1.942 1.525 12.334 293 HZ3 LYS 38 HZ3 LYS 38 -1.746 2.425 13.720 294 H ALA 39 HN ALA 39 -0.704 6.098 7.125 295 HA ALA 39 HA ALA 39 1.479 7.719 7.286 296 HB1 ALA 39 HB1 ALA 39 1.639 5.896 4.838 297 HB2 ALA 39 HB2 ALA 39 2.476 7.472 4.957 298 HB3 ALA 39 HB3 ALA 39 2.902 6.168 6.059 299 H ASP 40 HN ASP 40 -1.093 6.439 5.299 300 HA ASP 40 HA ASP 40 -1.669 8.457 3.432 301 HB2 ASP 40 HB2 ASP 40 -2.699 6.428 3.098 302 HB3 ASP 40 HB3 ASP 40 -3.113 6.195 4.773 303 H PHE 41 HN PHE 41 -2.401 8.349 6.863 304 HA PHE 41 HA PHE 41 -3.967 10.850 6.643 305 HB2 PHE 41 HB2 PHE 41 -4.820 10.263 8.900 306 HB3 PHE 41 HB3 PHE 41 -5.278 9.244 7.557 307 HD1 PHE 41 HD2 PHE 41 -2.047 9.042 9.496 308 HD2 PHE 41 HD1 PHE 41 -5.813 7.208 8.525 309 HE1 PHE 41 HE2 PHE 41 -1.346 7.043 10.710 310 HE2 PHE 41 HE1 PHE 41 -5.142 5.186 9.809 311 HZ PHE 41 HZ PHE 41 -2.932 5.108 10.931 312 H GLU 42 HN GLU 42 -0.780 10.236 7.206 313 HA GLU 42 HA GLU 42 -0.482 11.626 9.762 314 HB2 GLU 42 HB2 GLU 42 1.472 10.728 7.602 315 HB3 GLU 42 HB3 GLU 42 1.986 11.494 9.094 316 HG2 GLU 42 HG2 GLU 42 0.264 8.981 9.100 317 HG3 GLU 42 HG3 GLU 42 2.012 8.939 8.968 318 H GLU 43 HN GLU 43 0.003 12.415 6.327 319 HA GLU 43 HA GLU 43 0.606 15.231 6.946 320 HB2 GLU 43 HB2 GLU 43 2.312 13.088 6.266 321 HB3 GLU 43 HB3 GLU 43 1.987 13.845 4.708 322 HG2 GLU 43 HG2 GLU 43 2.891 15.325 7.185 323 HG3 GLU 43 HG3 GLU 43 4.008 14.618 5.999 324 H ALA 44 HN ALA 44 0.792 16.370 4.661 325 HA ALA 44 HA ALA 44 -1.736 16.333 3.361 326 HB1 ALA 44 HB1 ALA 44 -0.639 17.915 1.821 327 HB2 ALA 44 HB2 ALA 44 -0.321 18.340 3.506 328 HB3 ALA 44 HB3 ALA 44 0.943 17.543 2.536 329 H GLY 45 HN GLY 45 -2.357 14.519 2.366 330 HA2 GLY 45 HA2 GLY 45 -2.700 13.291 0.483 331 HA3 GLY 45 HA1 GLY 45 -1.353 14.137 -0.281 332 H HIS 46 HN HIS 46 -1.636 11.651 -0.985 333 HA HIS 46 HA HIS 46 -0.227 9.752 0.677 334 HB2 HIS 46 HB2 HIS 46 -0.536 8.265 -1.246 335 HB3 HIS 46 HB3 HIS 46 -2.035 9.001 -0.692 336 HD1 HIS 46 HD1 HIS 46 0.486 9.536 -3.629 337 HD2 HIS 46 HD2 HIS 46 -3.504 10.106 -2.472 338 HE1 HIS 46 HE1 HIS 46 -0.698 10.595 -5.640 339 H GLU 47 HN GLU 47 1.407 12.154 0.010 340 HA GLU 47 HA GLU 47 3.621 10.918 -1.563 341 HB2 GLU 47 HB2 GLU 47 3.129 13.636 -0.373 342 HB3 GLU 47 HB3 GLU 47 4.794 13.039 -0.570 343 HG2 GLU 47 HG2 GLU 47 4.248 12.484 -2.978 344 HG3 GLU 47 HG3 GLU 47 2.725 13.354 -2.768 345 H ASP 48 HN ASP 48 2.606 11.664 1.809 346 HA ASP 48 HA ASP 48 5.086 10.930 2.920 347 HB2 ASP 48 HB2 ASP 48 2.874 12.069 3.877 348 HB3 ASP 48 HB3 ASP 48 2.565 10.448 4.499 349 H VAL 49 HN VAL 49 2.340 8.991 2.018 350 HA VAL 49 HA VAL 49 3.121 6.418 2.910 351 HB VAL 49 HB VAL 49 1.679 7.266 0.370 352 HG11 VAL 49 HG11 VAL 49 2.434 4.896 0.192 353 HG12 VAL 49 HG12 VAL 49 1.660 4.555 1.748 354 HG13 VAL 49 HG13 VAL 49 0.689 5.018 0.333 355 HG21 VAL 49 HG21 VAL 49 0.501 8.022 2.452 356 HG22 VAL 49 HG22 VAL 49 -0.418 6.839 1.515 357 HG23 VAL 49 HG23 VAL 49 0.442 6.330 2.984 358 H MET 50 HN MET 50 4.396 8.416 0.242 359 HA MET 50 HA MET 50 5.698 6.170 -1.074 360 HB2 MET 50 HB2 MET 50 6.276 9.074 -1.591 361 HB3 MET 50 HB3 MET 50 6.560 7.719 -2.660 362 HG2 MET 50 HG2 MET 50 3.846 8.731 -1.822 363 HG3 MET 50 HG3 MET 50 4.676 9.179 -3.283 364 HE1 MET 50 HE1 MET 50 2.700 6.443 -1.487 365 HE2 MET 50 HE2 MET 50 2.462 5.219 -2.751 366 HE3 MET 50 HE3 MET 50 4.030 5.343 -1.978 367 H ARG 51 HN ARG 51 6.720 8.911 1.145 368 HA ARG 51 HA ARG 51 9.462 8.125 1.173 369 HB2 ARG 51 HB2 ARG 51 7.577 9.662 3.003 370 HB3 ARG 51 HB3 ARG 51 9.192 9.251 3.548 371 HG2 ARG 51 HG2 ARG 51 10.204 10.360 1.595 372 HG3 ARG 51 HG3 ARG 51 8.586 10.765 0.986 373 HD2 ARG 51 HD2 ARG 51 9.739 11.706 3.649 374 HD3 ARG 51 HD3 ARG 51 9.760 12.661 2.161 375 HE ARG 51 HE ARG 51 7.520 12.099 3.939 376 HH11 ARG 51 HH11 ARG 51 8.294 13.040 0.566 377 HH12 ARG 51 HH12 ARG 51 6.933 14.126 0.460 378 HH21 ARG 51 HH21 ARG 51 5.546 13.207 3.574 379 HH22 ARG 51 HH22 ARG 51 5.213 14.048 2.109 380 H LYS 52 HN LYS 52 6.705 7.112 3.250 381 HA LYS 52 HA LYS 52 8.078 5.377 4.920 382 HB2 LYS 52 HB2 LYS 52 5.635 6.005 5.004 383 HB3 LYS 52 HB3 LYS 52 5.306 4.836 3.741 384 HG2 LYS 52 HG2 LYS 52 6.528 4.157 6.448 385 HG3 LYS 52 HG3 LYS 52 4.808 4.143 6.126 386 HD2 LYS 52 HD2 LYS 52 5.010 2.314 4.545 387 HD3 LYS 52 HD3 LYS 52 6.778 2.319 4.668 388 HE2 LYS 52 HE2 LYS 52 4.927 1.788 7.000 389 HE3 LYS 52 HE3 LYS 52 5.667 0.534 5.995 390 HZ1 LYS 52 HZ1 LYS 52 7.055 2.379 7.825 391 HZ2 LYS 52 HZ2 LYS 52 7.870 1.463 6.725 392 HZ3 LYS 52 HZ3 LYS 52 6.992 0.734 7.865 393 H VAL 53 HN VAL 53 6.662 4.506 1.675 394 HA VAL 53 HA VAL 53 7.646 1.816 2.010 395 HB VAL 53 HB VAL 53 5.626 2.466 0.657 396 HG11 VAL 53 HG11 VAL 53 6.607 4.330 -0.665 397 HG12 VAL 53 HG12 VAL 53 7.561 3.138 -1.551 398 HG13 VAL 53 HG13 VAL 53 5.785 3.119 -1.643 399 HG21 VAL 53 HG21 VAL 53 6.630 0.249 0.512 400 HG22 VAL 53 HG22 VAL 53 5.994 0.756 -1.057 401 HG23 VAL 53 HG23 VAL 53 7.739 0.795 -0.762 402 H LEU 54 HN LEU 54 8.886 4.743 0.320 403 HA LEU 54 HA LEU 54 10.913 3.292 -1.046 404 HB2 LEU 54 HB2 LEU 54 10.422 6.218 -0.463 405 HB3 LEU 54 HB3 LEU 54 11.989 5.736 -1.005 406 HG LEU 54 HG LEU 54 10.864 6.420 -2.926 407 HD11 LEU 54 HD11 LEU 54 10.895 4.596 -4.434 408 HD12 LEU 54 HD12 LEU 54 10.534 3.416 -3.175 409 HD13 LEU 54 HD13 LEU 54 12.116 4.248 -3.211 410 HD21 LEU 54 HD21 LEU 54 8.715 5.308 -3.757 411 HD22 LEU 54 HD22 LEU 54 8.601 6.572 -2.537 412 HD23 LEU 54 HD23 LEU 54 8.479 4.889 -2.075 413 H GLY 55 HN GLY 55 10.819 4.828 2.173 414 HA2 GLY 55 HA2 GLY 55 13.570 4.419 2.818 415 HA3 GLY 55 HA1 GLY 55 12.231 4.653 3.953 416 H ASP 56 HN ASP 56 10.607 2.398 3.515 417 HA ASP 56 HA ASP 56 12.191 0.313 4.762 418 HB2 ASP 56 HB2 ASP 56 9.341 0.772 4.131 419 HB3 ASP 56 HB3 ASP 56 9.829 -0.898 3.938 420 H LEU 57 HN LEU 57 11.547 1.086 1.427 421 HA LEU 57 HA LEU 57 12.201 -1.577 0.366 422 HB2 LEU 57 HB2 LEU 57 11.795 1.165 -0.846 423 HB3 LEU 57 HB3 LEU 57 12.638 -0.056 -1.770 424 HG LEU 57 HG LEU 57 9.875 -0.570 -0.635 425 HD11 LEU 57 HD11 LEU 57 10.690 0.466 -3.374 426 HD12 LEU 57 HD12 LEU 57 9.799 1.370 -2.133 427 HD13 LEU 57 HD13 LEU 57 9.042 -0.040 -2.885 428 HD21 LEU 57 HD21 LEU 57 11.226 -2.579 -1.342 429 HD22 LEU 57 HD22 LEU 57 11.347 -1.884 -2.959 430 HD23 LEU 57 HD23 LEU 57 9.756 -2.338 -2.288 431 H ASP 58 HN ASP 58 13.927 1.424 1.235 432 HA ASP 58 HA ASP 58 16.117 1.771 1.524 433 HB2 ASP 58 HB2 ASP 58 15.599 -0.295 2.917 434 HB3 ASP 58 HB3 ASP 58 16.313 -1.242 1.635 435 H GLY 59 HN GLY 59 15.196 1.344 -1.263 436 HA2 GLY 59 HA2 GLY 59 16.438 1.795 -3.255 437 HA3 GLY 59 HA1 GLY 59 17.831 0.956 -2.591 438 H LYS 60 HN LYS 60 15.089 -1.039 -1.991 439 HA LYS 60 HA LYS 60 16.002 -3.009 -3.705 440 HB2 LYS 60 HB2 LYS 60 13.677 -2.578 -1.997 441 HB3 LYS 60 HB3 LYS 60 13.553 -3.845 -3.161 442 HG2 LYS 60 HG2 LYS 60 15.784 -4.731 -2.311 443 HG3 LYS 60 HG3 LYS 60 15.625 -3.621 -0.960 444 HD2 LYS 60 HD2 LYS 60 13.974 -4.841 0.032 445 HD3 LYS 60 HD3 LYS 60 13.264 -5.392 -1.479 446 HE2 LYS 60 HE2 LYS 60 15.968 -6.389 -0.556 447 HE3 LYS 60 HE3 LYS 60 14.468 -7.153 0.003 448 HZ1 LYS 60 HZ1 LYS 60 13.922 -7.689 -2.269 449 HZ2 LYS 60 HZ2 LYS 60 15.430 -8.237 -1.914 450 HZ3 LYS 60 HZ3 LYS 60 15.274 -6.920 -2.845 451 H ARG 61 HN ARG 61 13.777 -0.362 -4.459 452 HA ARG 61 HA ARG 61 13.361 -1.412 -7.115 453 HB2 ARG 61 HB2 ARG 61 11.017 -0.952 -5.215 454 HB3 ARG 61 HB3 ARG 61 10.827 -0.911 -6.963 455 HG2 ARG 61 HG2 ARG 61 11.804 -3.333 -5.414 456 HG3 ARG 61 HG3 ARG 61 10.144 -3.050 -5.963 457 HD2 ARG 61 HD2 ARG 61 10.954 -2.922 -8.297 458 HD3 ARG 61 HD3 ARG 61 12.586 -3.340 -7.758 459 HE ARG 61 HE ARG 61 11.255 -5.386 -6.715 460 HH11 ARG 61 HH11 ARG 61 11.036 -4.012 -10.014 461 HH12 ARG 61 HH12 ARG 61 10.922 -5.535 -10.780 462 HH21 ARG 61 HH21 ARG 61 10.509 -7.382 -7.782 463 HH22 ARG 61 HH22 ARG 61 10.773 -7.493 -9.471 464 HA PRO 62 HA PRO 62 13.576 2.973 -7.863 465 HB2 PRO 62 HB2 PRO 62 12.236 3.096 -10.309 466 HB3 PRO 62 HB3 PRO 62 13.921 2.554 -10.112 467 HG2 PRO 62 HG2 PRO 62 11.428 0.898 -10.376 468 HG3 PRO 62 HG3 PRO 62 13.031 0.634 -11.141 469 HD2 PRO 62 HD2 PRO 62 12.196 -0.721 -8.938 470 HD3 PRO 62 HD3 PRO 62 13.906 -0.282 -9.173 471 H GLU 63 HN GLU 63 12.278 4.740 -7.384 472 HA GLU 63 HA GLU 63 9.731 4.434 -6.297 473 HB2 GLU 63 HB2 GLU 63 11.144 6.381 -5.880 474 HB3 GLU 63 HB3 GLU 63 10.931 6.913 -7.544 475 HG2 GLU 63 HG2 GLU 63 8.507 7.153 -7.158 476 HG3 GLU 63 HG3 GLU 63 8.638 6.502 -5.560 477 H ALA 64 HN ALA 64 10.644 4.996 -9.670 478 HA ALA 64 HA ALA 64 8.148 5.611 -10.778 479 HB1 ALA 64 HB1 ALA 64 10.131 5.640 -12.159 480 HB2 ALA 64 HB2 ALA 64 10.399 3.894 -11.928 481 HB3 ALA 64 HB3 ALA 64 9.008 4.473 -12.864 482 H GLU 65 HN GLU 65 9.435 2.234 -10.254 483 HA GLU 65 HA GLU 65 7.045 0.993 -11.221 484 HB2 GLU 65 HB2 GLU 65 9.329 -0.024 -11.075 485 HB3 GLU 65 HB3 GLU 65 9.210 -0.045 -9.304 486 HG2 GLU 65 HG2 GLU 65 7.305 -1.571 -9.409 487 HG3 GLU 65 HG3 GLU 65 7.220 -1.370 -11.155 488 H VAL 66 HN VAL 66 8.137 2.094 -8.079 489 HA VAL 66 HA VAL 66 6.260 0.680 -6.441 490 HB VAL 66 HB VAL 66 8.135 3.039 -5.964 491 HG11 VAL 66 HG11 VAL 66 6.595 3.128 -4.117 492 HG12 VAL 66 HG12 VAL 66 6.667 1.364 -3.896 493 HG13 VAL 66 HG13 VAL 66 8.083 2.386 -3.573 494 HG21 VAL 66 HG21 VAL 66 9.718 1.490 -5.182 495 HG22 VAL 66 HG22 VAL 66 8.532 0.166 -5.085 496 HG23 VAL 66 HG23 VAL 66 9.110 0.725 -6.643 497 H ARG 67 HN ARG 67 6.431 4.160 -7.488 498 HA ARG 67 HA ARG 67 4.023 4.941 -6.200 499 HB2 ARG 67 HB2 ARG 67 4.169 6.942 -7.490 500 HB3 ARG 67 HB3 ARG 67 5.765 6.476 -6.944 501 HG2 ARG 67 HG2 ARG 67 6.010 5.414 -9.331 502 HG3 ARG 67 HG3 ARG 67 4.672 6.440 -9.749 503 HD2 ARG 67 HD2 ARG 67 7.463 7.183 -8.902 504 HD3 ARG 67 HD3 ARG 67 6.610 7.702 -10.313 505 HE ARG 67 HE ARG 67 6.625 8.922 -7.686 506 HH11 ARG 67 HH11 ARG 67 4.432 8.439 -10.478 507 HH12 ARG 67 HH12 ARG 67 3.331 9.645 -9.887 508 HH21 ARG 67 HH21 ARG 67 5.381 10.771 -7.266 509 HH22 ARG 67 HH22 ARG 67 3.989 11.141 -8.231 510 H ALA 68 HN ALA 68 4.603 3.613 -9.449 511 HA ALA 68 HA ALA 68 1.999 3.878 -10.469 512 HB1 ALA 68 HB1 ALA 68 3.948 1.593 -10.970 513 HB2 ALA 68 HB2 ALA 68 2.640 2.175 -12.030 514 HB3 ALA 68 HB3 ALA 68 4.071 3.199 -11.687 515 H LYS 69 HN LYS 69 3.440 1.023 -8.638 516 HA LYS 69 HA LYS 69 1.296 -0.553 -8.455 517 HB2 LYS 69 HB2 LYS 69 3.862 -0.370 -7.398 518 HB3 LYS 69 HB3 LYS 69 2.926 -0.034 -5.971 519 HG2 LYS 69 HG2 LYS 69 3.324 -2.360 -6.036 520 HG3 LYS 69 HG3 LYS 69 1.612 -2.145 -6.397 521 HD2 LYS 69 HD2 LYS 69 2.655 -3.773 -7.820 522 HD3 LYS 69 HD3 LYS 69 2.046 -2.495 -8.788 523 HE2 LYS 69 HE2 LYS 69 4.946 -2.398 -8.024 524 HE3 LYS 69 HE3 LYS 69 4.426 -3.723 -9.064 525 HZ1 LYS 69 HZ1 LYS 69 4.550 -0.878 -9.677 526 HZ2 LYS 69 HZ2 LYS 69 3.335 -1.771 -10.397 527 HZ3 LYS 69 HZ3 LYS 69 4.907 -2.191 -10.593 528 H TYR 70 HN TYR 70 1.999 2.168 -6.200 529 HA TYR 70 HA TYR 70 -0.298 1.665 -4.597 530 HB2 TYR 70 HB2 TYR 70 1.729 2.851 -3.826 531 HB3 TYR 70 HB3 TYR 70 1.359 4.214 -4.884 532 HD1 TYR 70 HD2 TYR 70 -0.066 2.111 -2.099 533 HD2 TYR 70 HD1 TYR 70 0.027 6.008 -3.997 534 HE1 TYR 70 HE2 TYR 70 -1.491 3.035 -0.294 535 HE2 TYR 70 HE1 TYR 70 -1.615 6.841 -2.366 536 HH TYR 70 HH TYR 70 -2.621 4.864 0.498 537 H GLU 71 HN GLU 71 0.331 4.257 -7.032 538 HA GLU 71 HA GLU 71 -2.174 5.503 -6.902 539 HB2 GLU 71 HB2 GLU 71 -0.149 5.172 -9.152 540 HB3 GLU 71 HB3 GLU 71 -1.564 6.188 -9.334 541 HG2 GLU 71 HG2 GLU 71 0.263 6.647 -6.962 542 HG3 GLU 71 HG3 GLU 71 0.731 7.211 -8.565 543 H GLY 72 HN GLY 72 -1.199 2.626 -8.826 544 HA2 GLY 72 HA2 GLY 72 -3.587 2.568 -10.447 545 HA3 GLY 72 HA1 GLY 72 -2.412 1.263 -10.204 546 H LEU 73 HN LEU 73 -2.850 1.504 -7.184 547 HA LEU 73 HA LEU 73 -4.513 -0.752 -7.174 548 HB2 LEU 73 HB2 LEU 73 -2.515 0.332 -5.562 549 HB3 LEU 73 HB3 LEU 73 -3.908 0.513 -4.538 550 HG LEU 73 HG LEU 73 -4.308 -1.905 -4.481 551 HD11 LEU 73 HD11 LEU 73 -2.058 -2.129 -6.558 552 HD12 LEU 73 HD12 LEU 73 -3.737 -2.619 -6.801 553 HD13 LEU 73 HD13 LEU 73 -2.739 -3.494 -5.660 554 HD21 LEU 73 HD21 LEU 73 -1.311 -1.100 -4.413 555 HD22 LEU 73 HD22 LEU 73 -1.927 -2.572 -3.718 556 HD23 LEU 73 HD23 LEU 73 -2.460 -1.000 -3.071 557 H MET 74 HN MET 74 -5.423 2.545 -6.778 558 HA MET 74 HA MET 74 -7.400 2.405 -4.815 559 HB2 MET 74 HB2 MET 74 -6.644 4.466 -5.939 560 HB3 MET 74 HB3 MET 74 -7.496 3.997 -7.416 561 HG2 MET 74 HG2 MET 74 -9.645 4.034 -6.203 562 HG3 MET 74 HG3 MET 74 -8.817 4.444 -4.703 563 HE1 MET 74 HE1 MET 74 -6.706 6.683 -5.478 564 HE2 MET 74 HE2 MET 74 -7.715 8.114 -5.230 565 HE3 MET 74 HE3 MET 74 -7.848 6.738 -4.113 566 H ALA 75 HN ALA 75 -7.788 1.633 -8.317 567 HA ALA 75 HA ALA 75 -10.563 0.835 -7.885 568 HB1 ALA 75 HB1 ALA 75 -8.802 0.570 -10.348 569 HB2 ALA 75 HB2 ALA 75 -10.534 0.233 -10.274 570 HB3 ALA 75 HB3 ALA 75 -9.947 1.882 -10.001 571 H VAL 76 HN VAL 76 -7.395 -0.878 -8.125 572 HA VAL 76 HA VAL 76 -8.453 -3.515 -8.382 573 HB VAL 76 HB VAL 76 -5.991 -2.778 -6.747 574 HG11 VAL 76 HG11 VAL 76 -5.172 -4.995 -7.486 575 HG12 VAL 76 HG12 VAL 76 -6.676 -5.129 -6.574 576 HG13 VAL 76 HG13 VAL 76 -6.703 -5.262 -8.341 577 HG21 VAL 76 HG21 VAL 76 -5.698 -1.665 -8.913 578 HG22 VAL 76 HG22 VAL 76 -4.638 -3.071 -8.822 579 HG23 VAL 76 HG23 VAL 76 -6.119 -3.172 -9.763 580 H ALA 77 HN ALA 77 -7.595 -1.555 -5.533 581 HA ALA 77 HA ALA 77 -8.195 -3.386 -3.554 582 HB1 ALA 77 HB1 ALA 77 -8.202 -0.370 -3.624 583 HB2 ALA 77 HB2 ALA 77 -8.396 -1.314 -2.134 584 HB3 ALA 77 HB3 ALA 77 -6.905 -1.453 -3.100 585 H LYS 78 HN LYS 78 -10.239 -0.883 -5.115 586 HA LYS 78 HA LYS 78 -12.600 -1.455 -3.564 587 HB2 LYS 78 HB2 LYS 78 -11.976 0.158 -6.070 588 HB3 LYS 78 HB3 LYS 78 -13.644 -0.292 -5.752 589 HG2 LYS 78 HG2 LYS 78 -13.401 0.708 -3.415 590 HG3 LYS 78 HG3 LYS 78 -11.847 1.362 -3.956 591 HD2 LYS 78 HD2 LYS 78 -13.595 3.043 -4.126 592 HD3 LYS 78 HD3 LYS 78 -12.971 2.647 -5.719 593 HE2 LYS 78 HE2 LYS 78 -15.250 0.906 -5.001 594 HE3 LYS 78 HE3 LYS 78 -15.682 2.608 -4.844 595 HZ1 LYS 78 HZ1 LYS 78 -14.546 1.411 -7.294 596 HZ2 LYS 78 HZ2 LYS 78 -14.998 2.980 -7.093 597 HZ3 LYS 78 HZ3 LYS 78 -16.125 1.773 -7.033 598 H ALA 79 HN ALA 79 -11.343 -2.898 -6.584 599 HA ALA 79 HA ALA 79 -13.773 -4.326 -7.181 600 HB1 ALA 79 HB1 ALA 79 -10.886 -5.072 -7.840 601 HB2 ALA 79 HB2 ALA 79 -12.348 -5.756 -8.549 602 HB3 ALA 79 HB3 ALA 79 -11.941 -4.057 -8.847 603 H GLN 80 HN GLN 80 -10.751 -5.173 -5.393 604 HA GLN 80 HA GLN 80 -11.510 -7.702 -4.581 605 HB2 GLN 80 HB2 GLN 80 -9.789 -5.720 -3.046 606 HB3 GLN 80 HB3 GLN 80 -10.020 -7.412 -2.648 607 HG2 GLN 80 HG2 GLN 80 -9.219 -7.897 -5.073 608 HG3 GLN 80 HG3 GLN 80 -8.594 -6.249 -5.050 609 HE21 GLN 80 HE21 GLN 80 -6.715 -8.228 -5.389 610 HE22 GLN 80 HE22 GLN 80 -5.851 -8.491 -3.897 611 H LEU 81 HN LEU 81 -12.394 -4.657 -2.976 612 HA LEU 81 HA LEU 81 -13.451 -5.870 -0.587 613 HB2 LEU 81 HB2 LEU 81 -13.874 -3.206 -2.009 614 HB3 LEU 81 HB3 LEU 81 -14.796 -3.586 -0.558 615 HG LEU 81 HG LEU 81 -11.763 -3.640 -0.625 616 HD11 LEU 81 HD11 LEU 81 -12.519 -1.384 -1.229 617 HD12 LEU 81 HD12 LEU 81 -11.797 -1.418 0.381 618 HD13 LEU 81 HD13 LEU 81 -13.565 -1.341 0.211 619 HD21 LEU 81 HD21 LEU 81 -12.004 -3.372 1.846 620 HD22 LEU 81 HD22 LEU 81 -12.734 -4.870 1.268 621 HD23 LEU 81 HD23 LEU 81 -13.765 -3.492 1.671 622 H MET 82 HN MET 82 -14.822 -5.222 -3.773 623 HA MET 82 HA MET 82 -17.538 -6.038 -2.943 624 HB2 MET 82 HB2 MET 82 -16.383 -5.674 -5.728 625 HB3 MET 82 HB3 MET 82 -18.092 -5.777 -5.317 626 HG2 MET 82 HG2 MET 82 -16.312 -3.571 -4.248 627 HG3 MET 82 HG3 MET 82 -16.996 -3.502 -5.827 628 HE1 MET 82 HE1 MET 82 -17.510 -3.174 -2.025 629 HE2 MET 82 HE2 MET 82 -19.250 -2.859 -1.846 630 HE3 MET 82 HE3 MET 82 -18.686 -4.497 -2.171 631 H ASP 83 HN ASP 83 -14.682 -7.446 -4.494 632 HA ASP 83 HA ASP 83 -15.842 -9.940 -5.300 633 HB2 ASP 83 HB2 ASP 83 -13.699 -8.919 -6.119 634 HB3 ASP 83 HB3 ASP 83 -12.972 -9.263 -4.542 635 H GLU 84 HN GLU 84 -14.312 -8.779 -2.289 636 HA GLU 84 HA GLU 84 -14.440 -11.369 -0.960 637 HB2 GLU 84 HB2 GLU 84 -13.777 -8.531 -0.070 638 HB3 GLU 84 HB3 GLU 84 -13.717 -9.900 1.025 639 HG2 GLU 84 HG2 GLU 84 -12.229 -10.474 -1.451 640 HG3 GLU 84 HG3 GLU 84 -11.670 -9.006 -0.670 641 H LEU 85 HN LEU 85 -16.978 -9.427 -1.663 642 HA LEU 85 HA LEU 85 -18.461 -9.612 0.908 643 HB2 LEU 85 HB2 LEU 85 -19.230 -8.896 -1.949 644 HB3 LEU 85 HB3 LEU 85 -20.450 -9.295 -0.760 645 HG LEU 85 HG LEU 85 -18.518 -6.981 -0.454 646 HD11 LEU 85 HD11 LEU 85 -21.448 -7.032 -1.290 647 HD12 LEU 85 HD12 LEU 85 -20.067 -6.666 -2.349 648 HD13 LEU 85 HD13 LEU 85 -20.469 -5.580 -1.008 649 HD21 LEU 85 HD21 LEU 85 -21.015 -7.818 1.105 650 HD22 LEU 85 HD22 LEU 85 -20.131 -6.300 1.337 651 HD23 LEU 85 HD23 LEU 85 -19.357 -7.831 1.725 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -18.523 9.378 3.564 2 HA2 GLY 1 HA2 GLY 1 -16.476 9.550 2.222 3 HA3 GLY 1 HA1 GLY 1 -16.127 9.137 3.914 4 H MET 2 HN MET 2 -16.170 8.002 0.569 5 HA MET 2 HA MET 2 -15.633 5.236 1.029 6 HB2 MET 2 HB2 MET 2 -15.184 7.111 -1.326 7 HB3 MET 2 HB3 MET 2 -14.788 5.394 -1.389 8 HG2 MET 2 HG2 MET 2 -16.959 4.706 -1.219 9 HG3 MET 2 HG3 MET 2 -17.542 6.198 -0.476 10 HE1 MET 2 HE1 MET 2 -18.742 4.300 -3.269 11 HE2 MET 2 HE2 MET 2 -19.463 5.247 -1.964 12 HE3 MET 2 HE3 MET 2 -19.692 5.748 -3.654 13 H GLN 3 HN GLN 3 -13.586 8.013 1.347 14 HA GLN 3 HA GLN 3 -11.041 7.104 0.726 15 HB2 GLN 3 HB2 GLN 3 -12.240 9.442 1.597 16 HB3 GLN 3 HB3 GLN 3 -11.299 9.024 3.013 17 HG2 GLN 3 HG2 GLN 3 -10.224 9.275 0.163 18 HG3 GLN 3 HG3 GLN 3 -10.172 10.544 1.382 19 HE21 GLN 3 HE21 GLN 3 -8.216 8.321 -0.082 20 HE22 GLN 3 HE22 GLN 3 -7.032 8.180 1.205 21 H PHE 4 HN PHE 4 -12.619 5.218 2.598 22 HA PHE 4 HA PHE 4 -10.485 4.747 4.633 23 HB2 PHE 4 HB2 PHE 4 -13.339 5.258 5.000 24 HB3 PHE 4 HB3 PHE 4 -12.902 3.677 5.608 25 HD1 PHE 4 HD1 PHE 4 -11.145 7.069 5.605 26 HD2 PHE 4 HD2 PHE 4 -12.568 3.701 7.886 27 HE1 PHE 4 HE1 PHE 4 -10.213 8.053 7.635 28 HE2 PHE 4 HE2 PHE 4 -11.613 4.712 9.947 29 HZ PHE 4 HZ PHE 4 -10.402 6.893 9.812 30 H LYS 5 HN LYS 5 -13.434 3.181 3.377 31 HA LYS 5 HA LYS 5 -12.337 0.595 3.163 32 HB2 LYS 5 HB2 LYS 5 -14.698 1.943 1.780 33 HB3 LYS 5 HB3 LYS 5 -14.335 0.224 1.595 34 HG2 LYS 5 HG2 LYS 5 -14.525 -0.214 3.924 35 HG3 LYS 5 HG3 LYS 5 -14.675 1.493 4.345 36 HD2 LYS 5 HD2 LYS 5 -16.740 0.146 2.579 37 HD3 LYS 5 HD3 LYS 5 -16.736 -0.058 4.335 38 HE2 LYS 5 HE2 LYS 5 -16.742 2.461 4.603 39 HE3 LYS 5 HE3 LYS 5 -17.047 2.581 2.847 40 HZ1 LYS 5 HZ1 LYS 5 -19.036 1.340 3.133 41 HZ2 LYS 5 HZ2 LYS 5 -19.094 2.598 4.171 42 HZ3 LYS 5 HZ3 LYS 5 -18.773 1.063 4.721 43 H ALA 6 HN ALA 6 -11.771 3.289 1.009 44 HA ALA 6 HA ALA 6 -10.558 1.474 -0.993 45 HB1 ALA 6 HB1 ALA 6 -12.292 3.139 -1.720 46 HB2 ALA 6 HB2 ALA 6 -11.225 4.434 -1.095 47 HB3 ALA 6 HB3 ALA 6 -10.695 3.430 -2.461 48 H GLU 7 HN GLU 7 -9.444 3.303 1.784 49 HA GLU 7 HA GLU 7 -6.902 4.039 0.738 50 HB2 GLU 7 HB2 GLU 7 -7.997 5.680 2.054 51 HB3 GLU 7 HB3 GLU 7 -8.973 4.557 2.925 52 HG2 GLU 7 HG2 GLU 7 -6.297 4.025 3.620 53 HG3 GLU 7 HG3 GLU 7 -6.534 5.790 3.712 54 H ALA 8 HN ALA 8 -8.451 2.245 3.401 55 HA ALA 8 HA ALA 8 -6.140 0.958 4.152 56 HB1 ALA 8 HB1 ALA 8 -8.079 1.034 5.604 57 HB2 ALA 8 HB2 ALA 8 -8.985 -0.069 4.530 58 HB3 ALA 8 HB3 ALA 8 -7.543 -0.640 5.414 59 H ARG 9 HN ARG 9 -8.580 -0.355 1.850 60 HA ARG 9 HA ARG 9 -7.231 -2.939 1.700 61 HB2 ARG 9 HB2 ARG 9 -9.699 -2.429 1.228 62 HB3 ARG 9 HB3 ARG 9 -9.163 -1.681 -0.262 63 HG2 ARG 9 HG2 ARG 9 -9.973 -3.870 -0.785 64 HG3 ARG 9 HG3 ARG 9 -8.227 -3.906 -1.001 65 HD2 ARG 9 HD2 ARG 9 -8.983 -5.959 0.055 66 HD3 ARG 9 HD3 ARG 9 -8.003 -5.042 1.209 67 HE ARG 9 HE ARG 9 -10.631 -4.267 1.752 68 HH11 ARG 9 HH11 ARG 9 -9.094 -7.516 1.614 69 HH12 ARG 9 HH12 ARG 9 -10.064 -8.073 2.905 70 HH21 ARG 9 HH21 ARG 9 -11.856 -5.120 3.412 71 HH22 ARG 9 HH22 ARG 9 -11.492 -6.663 4.098 72 H ARG 10 HN ARG 10 -6.777 0.148 0.066 73 HA ARG 10 HA ARG 10 -5.225 -0.833 -2.216 74 HB2 ARG 10 HB2 ARG 10 -6.535 1.401 -1.912 75 HB3 ARG 10 HB3 ARG 10 -5.172 1.954 -0.941 76 HG2 ARG 10 HG2 ARG 10 -3.740 1.303 -3.089 77 HG3 ARG 10 HG3 ARG 10 -5.314 1.307 -3.902 78 HD2 ARG 10 HD2 ARG 10 -3.901 3.600 -2.514 79 HD3 ARG 10 HD3 ARG 10 -4.432 3.506 -4.197 80 HE ARG 10 HE ARG 10 -6.614 3.364 -2.249 81 HH11 ARG 10 HH11 ARG 10 -4.468 5.732 -3.883 82 HH12 ARG 10 HH12 ARG 10 -5.159 7.044 -3.034 83 HH21 ARG 10 HH21 ARG 10 -7.643 5.141 -1.410 84 HH22 ARG 10 HH22 ARG 10 -7.211 6.754 -1.900 85 H ASN 11 HN ASN 11 -4.516 0.816 0.861 86 HA ASN 11 HA ASN 11 -1.758 0.581 0.754 87 HB2 ASN 11 HB2 ASN 11 -3.607 0.701 3.161 88 HB3 ASN 11 HB3 ASN 11 -1.852 0.933 3.200 89 HD21 ASN 11 HD21 ASN 11 -3.262 3.166 4.187 90 HD22 ASN 11 HD22 ASN 11 -3.518 4.319 2.919 91 H LYS 12 HN LYS 12 -4.081 -1.727 2.285 92 HA LYS 12 HA LYS 12 -2.229 -3.569 3.250 93 HB2 LYS 12 HB2 LYS 12 -4.666 -3.548 3.706 94 HB3 LYS 12 HB3 LYS 12 -4.994 -4.145 2.073 95 HG2 LYS 12 HG2 LYS 12 -3.829 -6.249 2.572 96 HG3 LYS 12 HG3 LYS 12 -3.282 -5.601 4.126 97 HD2 LYS 12 HD2 LYS 12 -5.717 -5.369 4.792 98 HD3 LYS 12 HD3 LYS 12 -6.128 -6.343 3.360 99 HE2 LYS 12 HE2 LYS 12 -4.826 -8.227 4.199 100 HE3 LYS 12 HE3 LYS 12 -4.083 -7.218 5.437 101 HZ1 LYS 12 HZ1 LYS 12 -6.341 -6.993 6.428 102 HZ2 LYS 12 HZ2 LYS 12 -5.697 -8.502 6.495 103 HZ3 LYS 12 HZ3 LYS 12 -6.896 -8.151 5.428 104 H LEU 13 HN LEU 13 -3.820 -3.660 0.002 105 HA LEU 13 HA LEU 13 -2.363 -5.940 -0.919 106 HB2 LEU 13 HB2 LEU 13 -3.742 -3.672 -2.361 107 HB3 LEU 13 HB3 LEU 13 -2.927 -4.991 -3.217 108 HG LEU 13 HG LEU 13 -5.250 -5.413 -1.319 109 HD11 LEU 13 HD11 LEU 13 -5.819 -4.097 -3.350 110 HD12 LEU 13 HD12 LEU 13 -6.542 -5.705 -3.408 111 HD13 LEU 13 HD13 LEU 13 -5.100 -5.353 -4.374 112 HD21 LEU 13 HD21 LEU 13 -5.281 -7.662 -2.366 113 HD22 LEU 13 HD22 LEU 13 -3.777 -7.406 -1.519 114 HD23 LEU 13 HD23 LEU 13 -3.813 -7.276 -3.292 115 H MET 14 HN MET 14 -1.596 -2.386 -1.201 116 HA MET 14 HA MET 14 0.711 -2.642 -2.759 117 HB2 MET 14 HB2 MET 14 -0.244 -0.531 -2.337 118 HB3 MET 14 HB3 MET 14 -0.118 -0.675 -0.594 119 HG2 MET 14 HG2 MET 14 1.514 0.902 -1.548 120 HG3 MET 14 HG3 MET 14 2.258 -0.383 -0.611 121 HE1 MET 14 HE1 MET 14 4.124 1.029 -4.146 122 HE2 MET 14 HE2 MET 14 3.140 1.822 -2.893 123 HE3 MET 14 HE3 MET 14 4.613 0.954 -2.422 124 H GLY 15 HN GLY 15 0.377 -2.746 0.825 125 HA2 GLY 15 HA2 GLY 15 3.027 -3.165 1.537 126 HA3 GLY 15 HA1 GLY 15 1.633 -3.808 2.411 127 H LEU 16 HN LEU 16 0.668 -5.705 0.481 128 HA LEU 16 HA LEU 16 2.462 -7.844 0.969 129 HB2 LEU 16 HB2 LEU 16 0.095 -7.537 -0.899 130 HB3 LEU 16 HB3 LEU 16 0.960 -9.048 -0.681 131 HG LEU 16 HG LEU 16 -0.326 -7.562 1.646 132 HD11 LEU 16 HD11 LEU 16 -2.165 -9.237 1.389 133 HD12 LEU 16 HD12 LEU 16 -1.399 -9.805 -0.108 134 HD13 LEU 16 HD13 LEU 16 -2.038 -8.149 0.000 135 HD21 LEU 16 HD21 LEU 16 1.389 -9.168 2.372 136 HD22 LEU 16 HD22 LEU 16 0.731 -10.412 1.292 137 HD23 LEU 16 HD23 LEU 16 -0.196 -9.869 2.692 138 H TRP 17 HN TRP 17 2.217 -5.717 -1.902 139 HA TRP 17 HA TRP 17 4.095 -7.323 -3.465 140 HB2 TRP 17 HB2 TRP 17 2.595 -5.820 -4.650 141 HB3 TRP 17 HB3 TRP 17 3.161 -4.446 -3.726 142 HD1 TRP 17 HD1 TRP 17 4.607 -6.968 -6.300 143 HE1 TRP 17 HE1 TRP 17 6.464 -5.823 -7.640 144 HE3 TRP 17 HE3 TRP 17 4.642 -2.450 -3.930 145 HZ2 TRP 17 HZ2 TRP 17 7.760 -3.228 -7.714 146 HZ3 TRP 17 HZ3 TRP 17 6.267 -0.690 -4.593 147 HH2 TRP 17 HH2 TRP 17 7.801 -1.065 -6.522 148 H VAL 18 HN VAL 18 4.364 -4.358 -1.415 149 HA VAL 18 HA VAL 18 7.137 -3.948 -1.785 150 HB VAL 18 HB VAL 18 5.347 -3.428 0.623 151 HG11 VAL 18 HG11 VAL 18 8.102 -2.287 0.007 152 HG12 VAL 18 HG12 VAL 18 7.022 -1.730 1.302 153 HG13 VAL 18 HG13 VAL 18 7.682 -3.344 1.368 154 HG21 VAL 18 HG21 VAL 18 4.734 -2.257 -1.555 155 HG22 VAL 18 HG22 VAL 18 5.054 -1.233 -0.157 156 HG23 VAL 18 HG23 VAL 18 6.288 -1.410 -1.435 157 H ALA 19 HN ALA 19 5.451 -5.837 0.745 158 HA ALA 19 HA ALA 19 7.624 -6.813 2.190 159 HB1 ALA 19 HB1 ALA 19 5.942 -8.664 2.748 160 HB2 ALA 19 HB2 ALA 19 5.362 -7.006 2.987 161 HB3 ALA 19 HB3 ALA 19 4.867 -7.944 1.554 162 H GLU 20 HN GLU 20 6.014 -8.274 -0.697 163 HA GLU 20 HA GLU 20 7.699 -10.528 -0.891 164 HB2 GLU 20 HB2 GLU 20 5.578 -10.454 -1.932 165 HB3 GLU 20 HB3 GLU 20 5.944 -8.966 -2.807 166 HG2 GLU 20 HG2 GLU 20 7.573 -10.154 -4.197 167 HG3 GLU 20 HG3 GLU 20 7.191 -11.679 -3.358 168 H VAL 21 HN VAL 21 7.936 -7.308 -2.568 169 HA VAL 21 HA VAL 21 10.322 -7.833 -3.975 170 HB VAL 21 HB VAL 21 9.122 -5.261 -2.868 171 HG11 VAL 21 HG11 VAL 21 11.484 -5.518 -4.768 172 HG12 VAL 21 HG12 VAL 21 10.575 -4.022 -4.446 173 HG13 VAL 21 HG13 VAL 21 11.489 -4.780 -3.150 174 HG21 VAL 21 HG21 VAL 21 9.263 -6.345 -5.719 175 HG22 VAL 21 HG22 VAL 21 7.837 -6.432 -4.674 176 HG23 VAL 21 HG23 VAL 21 8.454 -4.851 -5.164 177 H LEU 22 HN LEU 22 9.866 -6.691 -0.598 178 HA LEU 22 HA LEU 22 12.643 -6.327 -0.031 179 HB2 LEU 22 HB2 LEU 22 10.210 -6.829 1.702 180 HB3 LEU 22 HB3 LEU 22 11.814 -6.740 2.406 181 HG LEU 22 HG LEU 22 10.757 -4.515 0.619 182 HD11 LEU 22 HD11 LEU 22 10.071 -3.305 2.656 183 HD12 LEU 22 HD12 LEU 22 10.477 -4.730 3.647 184 HD13 LEU 22 HD13 LEU 22 9.149 -4.812 2.470 185 HD21 LEU 22 HD21 LEU 22 12.821 -4.481 2.868 186 HD22 LEU 22 HD22 LEU 22 12.430 -3.171 1.745 187 HD23 LEU 22 HD23 LEU 22 13.238 -4.621 1.161 188 H GLY 23 HN GLY 23 10.562 -9.221 0.050 189 HA2 GLY 23 HA2 GLY 23 11.490 -11.443 -0.068 190 HA3 GLY 23 HA1 GLY 23 12.929 -10.895 0.805 191 H LYS 24 HN LYS 24 9.783 -9.753 1.847 192 HA LYS 24 HA LYS 24 9.841 -11.413 4.312 193 HB2 LYS 24 HB2 LYS 24 7.893 -9.306 3.291 194 HB3 LYS 24 HB3 LYS 24 7.662 -10.215 4.777 195 HG2 LYS 24 HG2 LYS 24 9.619 -9.275 5.759 196 HG3 LYS 24 HG3 LYS 24 10.108 -8.470 4.255 197 HD2 LYS 24 HD2 LYS 24 8.086 -7.054 4.333 198 HD3 LYS 24 HD3 LYS 24 7.557 -7.847 5.808 199 HE2 LYS 24 HE2 LYS 24 10.103 -6.206 5.430 200 HE3 LYS 24 HE3 LYS 24 8.645 -5.666 6.251 201 HZ1 LYS 24 HZ1 LYS 24 10.392 -7.887 7.153 202 HZ2 LYS 24 HZ2 LYS 24 9.038 -7.372 7.938 203 HZ3 LYS 24 HZ3 LYS 24 10.350 -6.382 7.776 204 H SER 25 HN SER 25 7.894 -12.696 4.733 205 HA SER 25 HA SER 25 6.155 -13.614 2.594 206 HB2 SER 25 HB2 SER 25 8.293 -15.465 3.728 207 HB3 SER 25 HB3 SER 25 7.018 -15.901 2.592 208 HG SER 25 HG SER 25 8.349 -13.876 1.535 209 H GLY 26 HN GLY 26 5.474 -16.026 4.051 210 HA2 GLY 26 HA2 GLY 26 4.622 -16.851 6.032 211 HA3 GLY 26 HA1 GLY 26 5.867 -15.862 6.815 212 H ASP 27 HN ASP 27 4.736 -15.054 8.556 213 HA ASP 27 HA ASP 27 2.177 -13.621 7.975 214 HB2 ASP 27 HB2 ASP 27 2.624 -15.395 9.968 215 HB3 ASP 27 HB3 ASP 27 3.048 -13.918 10.815 216 H GLU 28 HN GLU 28 5.458 -13.218 8.737 217 HA GLU 28 HA GLU 28 5.960 -10.685 9.560 218 HB2 GLU 28 HB2 GLU 28 6.945 -12.587 7.443 219 HB3 GLU 28 HB3 GLU 28 7.629 -10.990 7.509 220 HG2 GLU 28 HG2 GLU 28 8.981 -12.495 8.594 221 HG3 GLU 28 HG3 GLU 28 8.340 -11.450 9.827 222 H ALA 29 HN ALA 29 5.212 -11.681 6.160 223 HA ALA 29 HA ALA 29 4.996 -9.054 5.084 224 HB1 ALA 29 HB1 ALA 29 5.306 -11.022 3.647 225 HB2 ALA 29 HB2 ALA 29 3.758 -11.706 4.198 226 HB3 ALA 29 HB3 ALA 29 3.782 -10.231 3.226 227 H ASN 30 HN ASN 30 2.767 -10.999 6.881 228 HA ASN 30 HA ASN 30 0.333 -9.631 5.908 229 HB2 ASN 30 HB2 ASN 30 0.708 -11.729 8.092 230 HB3 ASN 30 HB3 ASN 30 -0.826 -11.015 7.659 231 HD21 ASN 30 HD21 ASN 30 -0.057 -13.895 7.463 232 HD22 ASN 30 HD22 ASN 30 -0.270 -14.297 5.767 233 H ALA 31 HN ALA 31 2.515 -9.557 8.680 234 HA ALA 31 HA ALA 31 1.062 -7.544 10.177 235 HB1 ALA 31 HB1 ALA 31 3.994 -8.403 10.199 236 HB2 ALA 31 HB2 ALA 31 3.257 -7.241 11.307 237 HB3 ALA 31 HB3 ALA 31 2.708 -8.923 11.315 238 H TYR 32 HN TYR 32 3.799 -7.494 7.821 239 HA TYR 32 HA TYR 32 4.358 -4.774 7.930 240 HB2 TYR 32 HB2 TYR 32 5.735 -6.406 6.732 241 HB3 TYR 32 HB3 TYR 32 4.507 -6.583 5.488 242 HD1 TYR 32 HD1 TYR 32 6.947 -4.241 7.104 243 HD2 TYR 32 HD2 TYR 32 4.276 -4.750 3.749 244 HE1 TYR 32 HE1 TYR 32 7.835 -2.215 6.090 245 HE2 TYR 32 HE2 TYR 32 5.096 -2.636 2.785 246 HH TYR 32 HH TYR 32 6.258 -0.612 3.346 247 H ALA 33 HN ALA 33 1.830 -6.352 5.955 248 HA ALA 33 HA ALA 33 1.020 -4.175 4.447 249 HB1 ALA 33 HB1 ALA 33 -1.094 -5.291 4.194 250 HB2 ALA 33 HB2 ALA 33 0.181 -6.501 4.190 251 HB3 ALA 33 HB3 ALA 33 -0.821 -6.284 5.643 252 H ALA 34 HN ALA 34 0.439 -4.702 7.890 253 HA ALA 34 HA ALA 34 -1.692 -2.749 8.138 254 HB1 ALA 34 HB1 ALA 34 -1.390 -4.534 9.801 255 HB2 ALA 34 HB2 ALA 34 0.189 -3.847 10.258 256 HB3 ALA 34 HB3 ALA 34 -1.286 -2.930 10.547 257 H GLU 35 HN GLU 35 1.887 -2.609 8.223 258 HA GLU 35 HA GLU 35 2.070 -0.030 9.471 259 HB2 GLU 35 HB2 GLU 35 4.005 -1.305 7.480 260 HB3 GLU 35 HB3 GLU 35 4.317 0.050 8.556 261 HG2 GLU 35 HG2 GLU 35 3.715 -1.552 10.486 262 HG3 GLU 35 HG3 GLU 35 3.874 -2.855 9.307 263 H VAL 36 HN VAL 36 1.852 -1.149 6.083 264 HA VAL 36 HA VAL 36 2.033 1.407 4.907 265 HB VAL 36 HB VAL 36 0.469 -0.911 3.711 266 HG11 VAL 36 HG11 VAL 36 0.510 1.144 2.363 267 HG12 VAL 36 HG12 VAL 36 2.258 1.239 2.480 268 HG13 VAL 36 HG13 VAL 36 1.487 -0.094 1.594 269 HG21 VAL 36 HG21 VAL 36 2.285 -2.180 4.252 270 HG22 VAL 36 HG22 VAL 36 2.939 -1.439 2.777 271 HG23 VAL 36 HG23 VAL 36 3.396 -0.810 4.377 272 H VAL 37 HN VAL 37 -0.701 -0.130 6.476 273 HA VAL 37 HA VAL 37 -2.739 1.591 5.271 274 HB VAL 37 HB VAL 37 -2.683 -0.422 7.551 275 HG11 VAL 37 HG11 VAL 37 -4.327 1.150 8.238 276 HG12 VAL 37 HG12 VAL 37 -5.039 1.235 6.616 277 HG13 VAL 37 HG13 VAL 37 -5.184 -0.261 7.570 278 HG21 VAL 37 HG21 VAL 37 -3.936 -1.834 6.084 279 HG22 VAL 37 HG22 VAL 37 -4.171 -0.517 4.927 280 HG23 VAL 37 HG23 VAL 37 -2.563 -1.216 5.159 281 H LYS 38 HN LYS 38 -0.557 1.712 7.915 282 HA LYS 38 HA LYS 38 -1.788 4.082 9.135 283 HB2 LYS 38 HB2 LYS 38 0.185 2.124 9.884 284 HB3 LYS 38 HB3 LYS 38 1.022 3.687 9.830 285 HG2 LYS 38 HG2 LYS 38 -0.945 4.584 11.245 286 HG3 LYS 38 HG3 LYS 38 -1.467 2.901 11.371 287 HD2 LYS 38 HD2 LYS 38 -0.268 3.391 13.372 288 HD3 LYS 38 HD3 LYS 38 0.822 2.394 12.404 289 HE2 LYS 38 HE2 LYS 38 2.150 4.266 11.782 290 HE3 LYS 38 HE3 LYS 38 0.896 5.426 12.214 291 HZ1 LYS 38 HZ1 LYS 38 1.330 5.181 14.450 292 HZ2 LYS 38 HZ2 LYS 38 2.820 5.189 13.748 293 HZ3 LYS 38 HZ3 LYS 38 2.161 3.760 14.277 294 H ALA 39 HN ALA 39 -0.091 5.973 9.331 295 HA ALA 39 HA ALA 39 0.596 7.774 8.369 296 HB1 ALA 39 HB1 ALA 39 2.668 6.274 8.398 297 HB2 ALA 39 HB2 ALA 39 2.417 6.066 6.659 298 HB3 ALA 39 HB3 ALA 39 2.714 7.681 7.308 299 H ASP 40 HN ASP 40 -1.769 6.705 6.928 300 HA ASP 40 HA ASP 40 -1.425 8.183 4.367 301 HB2 ASP 40 HB2 ASP 40 -2.002 5.694 4.208 302 HB3 ASP 40 HB3 ASP 40 -3.500 6.049 5.039 303 H PHE 41 HN PHE 41 -1.517 9.855 6.282 304 HA PHE 41 HA PHE 41 -4.183 10.750 6.814 305 HB2 PHE 41 HB2 PHE 41 -2.531 10.042 9.258 306 HB3 PHE 41 HB3 PHE 41 -4.205 10.534 9.204 307 HD1 PHE 41 HD1 PHE 41 -5.763 8.677 7.817 308 HD2 PHE 41 HD2 PHE 41 -2.041 7.900 9.844 309 HE1 PHE 41 HE1 PHE 41 -6.523 6.376 8.345 310 HE2 PHE 41 HE2 PHE 41 -2.795 5.623 10.384 311 HZ PHE 41 HZ PHE 41 -5.068 4.857 9.683 312 H GLU 42 HN GLU 42 -4.131 12.848 7.647 313 HA GLU 42 HA GLU 42 -3.521 14.741 8.608 314 HB2 GLU 42 HB2 GLU 42 -0.832 13.649 9.443 315 HB3 GLU 42 HB3 GLU 42 -1.760 14.954 10.139 316 HG2 GLU 42 HG2 GLU 42 -3.522 12.853 10.442 317 HG3 GLU 42 HG3 GLU 42 -1.984 12.029 10.584 318 H GLU 43 HN GLU 43 -1.386 13.361 6.198 319 HA GLU 43 HA GLU 43 -0.526 15.962 5.190 320 HB2 GLU 43 HB2 GLU 43 0.580 14.861 3.537 321 HB3 GLU 43 HB3 GLU 43 0.842 13.902 4.983 322 HG2 GLU 43 HG2 GLU 43 -1.053 13.325 2.707 323 HG3 GLU 43 HG3 GLU 43 0.459 12.497 3.050 324 H ALA 44 HN ALA 44 -1.222 15.565 2.429 325 HA ALA 44 HA ALA 44 -4.169 15.394 2.378 326 HB1 ALA 44 HB1 ALA 44 -2.564 17.638 1.076 327 HB2 ALA 44 HB2 ALA 44 -4.293 17.318 0.847 328 HB3 ALA 44 HB3 ALA 44 -3.686 17.813 2.429 329 H GLY 45 HN GLY 45 -3.304 13.147 1.704 330 HA2 GLY 45 HA2 GLY 45 -3.715 12.217 -0.649 331 HA3 GLY 45 HA1 GLY 45 -2.260 13.135 -1.088 332 H HIS 46 HN HIS 46 -1.023 11.271 -1.569 333 HA HIS 46 HA HIS 46 -0.656 9.316 0.641 334 HB2 HIS 46 HB2 HIS 46 0.192 8.777 -2.144 335 HB3 HIS 46 HB3 HIS 46 -0.241 7.698 -0.843 336 HD1 HIS 46 HD1 HIS 46 -1.785 9.600 -3.749 337 HD2 HIS 46 HD2 HIS 46 -2.992 7.699 -0.164 338 HE1 HIS 46 HE1 HIS 46 -4.281 9.314 -3.906 339 H GLU 47 HN GLU 47 0.700 11.973 0.383 340 HA GLU 47 HA GLU 47 3.328 11.847 -0.579 341 HB2 GLU 47 HB2 GLU 47 1.607 13.687 0.713 342 HB3 GLU 47 HB3 GLU 47 2.975 13.553 1.803 343 HG2 GLU 47 HG2 GLU 47 4.509 14.270 0.088 344 HG3 GLU 47 HG3 GLU 47 3.288 14.095 -1.177 345 H ASP 48 HN ASP 48 1.972 11.124 2.673 346 HA ASP 48 HA ASP 48 4.576 10.707 3.860 347 HB2 ASP 48 HB2 ASP 48 2.713 11.826 5.000 348 HB3 ASP 48 HB3 ASP 48 1.743 10.367 4.982 349 H VAL 49 HN VAL 49 1.855 8.634 2.873 350 HA VAL 49 HA VAL 49 2.886 6.067 3.402 351 HB VAL 49 HB VAL 49 1.356 7.105 0.938 352 HG11 VAL 49 HG11 VAL 49 1.565 4.201 1.806 353 HG12 VAL 49 HG12 VAL 49 0.541 4.844 0.487 354 HG13 VAL 49 HG13 VAL 49 2.299 4.916 0.346 355 HG21 VAL 49 HG21 VAL 49 0.123 5.619 3.261 356 HG22 VAL 49 HG22 VAL 49 0.099 7.367 3.071 357 HG23 VAL 49 HG23 VAL 49 -0.687 6.380 1.865 358 H MET 50 HN MET 50 3.403 8.109 0.475 359 HA MET 50 HA MET 50 5.050 6.166 -0.789 360 HB2 MET 50 HB2 MET 50 4.923 9.156 -1.215 361 HB3 MET 50 HB3 MET 50 5.893 8.015 -2.164 362 HG2 MET 50 HG2 MET 50 2.896 7.717 -1.953 363 HG3 MET 50 HG3 MET 50 3.705 8.761 -3.114 364 HE1 MET 50 HE1 MET 50 4.202 4.844 -1.984 365 HE2 MET 50 HE2 MET 50 2.512 5.359 -2.188 366 HE3 MET 50 HE3 MET 50 3.258 4.231 -3.350 367 H ARG 51 HN ARG 51 6.005 9.109 1.117 368 HA ARG 51 HA ARG 51 8.720 8.614 0.928 369 HB2 ARG 51 HB2 ARG 51 7.322 10.616 1.794 370 HB3 ARG 51 HB3 ARG 51 7.380 9.886 3.352 371 HG2 ARG 51 HG2 ARG 51 9.836 10.437 1.632 372 HG3 ARG 51 HG3 ARG 51 9.131 11.653 2.690 373 HD2 ARG 51 HD2 ARG 51 9.727 10.573 4.649 374 HD3 ARG 51 HD3 ARG 51 9.915 9.001 3.911 375 HE ARG 51 HE ARG 51 11.855 11.173 4.005 376 HH11 ARG 51 HH11 ARG 51 11.051 8.029 2.499 377 HH12 ARG 51 HH12 ARG 51 12.583 7.909 1.667 378 HH21 ARG 51 HH21 ARG 51 13.889 10.851 3.147 379 HH22 ARG 51 HH22 ARG 51 14.264 9.564 2.041 380 H LYS 52 HN LYS 52 6.380 7.206 3.277 381 HA LYS 52 HA LYS 52 8.257 5.897 4.904 382 HB2 LYS 52 HB2 LYS 52 5.956 6.092 5.546 383 HB3 LYS 52 HB3 LYS 52 5.409 5.061 4.236 384 HG2 LYS 52 HG2 LYS 52 7.476 3.919 6.130 385 HG3 LYS 52 HG3 LYS 52 5.862 4.208 6.772 386 HD2 LYS 52 HD2 LYS 52 4.854 2.834 4.990 387 HD3 LYS 52 HD3 LYS 52 6.452 2.472 4.330 388 HE2 LYS 52 HE2 LYS 52 5.701 1.854 7.207 389 HE3 LYS 52 HE3 LYS 52 5.374 0.709 5.903 390 HZ1 LYS 52 HZ1 LYS 52 8.120 1.713 6.382 391 HZ2 LYS 52 HZ2 LYS 52 7.618 0.427 5.482 392 HZ3 LYS 52 HZ3 LYS 52 7.524 0.392 7.114 393 H VAL 53 HN VAL 53 6.517 4.612 2.025 394 HA VAL 53 HA VAL 53 7.797 2.031 2.243 395 HB VAL 53 HB VAL 53 5.534 2.556 1.310 396 HG11 VAL 53 HG11 VAL 53 5.874 4.415 -0.087 397 HG12 VAL 53 HG12 VAL 53 7.067 3.599 -1.077 398 HG13 VAL 53 HG13 VAL 53 5.362 3.090 -1.129 399 HG21 VAL 53 HG21 VAL 53 7.336 0.927 -0.500 400 HG22 VAL 53 HG22 VAL 53 6.584 0.387 0.998 401 HG23 VAL 53 HG23 VAL 53 5.571 0.853 -0.382 402 H LEU 54 HN LEU 54 8.553 5.035 0.498 403 HA LEU 54 HA LEU 54 10.498 3.850 -1.227 404 HB2 LEU 54 HB2 LEU 54 9.713 6.663 -0.431 405 HB3 LEU 54 HB3 LEU 54 11.300 6.432 -1.086 406 HG LEU 54 HG LEU 54 9.792 7.103 -2.766 407 HD11 LEU 54 HD11 LEU 54 11.419 6.020 -3.915 408 HD12 LEU 54 HD12 LEU 54 10.152 4.805 -4.237 409 HD13 LEU 54 HD13 LEU 54 11.317 4.549 -2.971 410 HD21 LEU 54 HD21 LEU 54 8.244 4.614 -2.420 411 HD22 LEU 54 HD22 LEU 54 8.078 5.721 -3.784 412 HD23 LEU 54 HD23 LEU 54 7.677 6.291 -2.165 413 H GLY 55 HN GLY 55 10.739 5.434 1.964 414 HA2 GLY 55 HA2 GLY 55 13.582 5.297 2.215 415 HA3 GLY 55 HA1 GLY 55 12.396 5.346 3.543 416 H ASP 56 HN ASP 56 10.928 3.147 3.340 417 HA ASP 56 HA ASP 56 12.682 1.147 4.364 418 HB2 ASP 56 HB2 ASP 56 9.696 1.359 3.930 419 HB3 ASP 56 HB3 ASP 56 10.379 -0.202 4.280 420 H LEU 57 HN LEU 57 12.108 1.714 1.006 421 HA LEU 57 HA LEU 57 12.432 -1.138 0.315 422 HB2 LEU 57 HB2 LEU 57 12.059 1.471 -1.131 423 HB3 LEU 57 HB3 LEU 57 13.049 0.300 -1.939 424 HG LEU 57 HG LEU 57 10.140 0.047 -1.179 425 HD11 LEU 57 HD11 LEU 57 11.011 1.244 -3.264 426 HD12 LEU 57 HD12 LEU 57 9.899 -0.121 -3.607 427 HD13 LEU 57 HD13 LEU 57 11.649 -0.297 -3.800 428 HD21 LEU 57 HD21 LEU 57 10.931 -2.214 -0.713 429 HD22 LEU 57 HD22 LEU 57 11.826 -2.247 -2.252 430 HD23 LEU 57 HD23 LEU 57 10.058 -2.189 -2.234 431 H ASP 58 HN ASP 58 14.414 1.611 1.133 432 HA ASP 58 HA ASP 58 16.602 2.070 0.954 433 HB2 ASP 58 HB2 ASP 58 16.528 -0.198 2.292 434 HB3 ASP 58 HB3 ASP 58 17.281 -0.869 0.870 435 H GLY 59 HN GLY 59 15.246 2.167 -1.487 436 HA2 GLY 59 HA2 GLY 59 15.620 2.345 -3.744 437 HA3 GLY 59 HA1 GLY 59 17.334 2.119 -3.400 438 H LYS 60 HN LYS 60 15.160 -0.534 -2.439 439 HA LYS 60 HA LYS 60 16.347 -2.422 -4.116 440 HB2 LYS 60 HB2 LYS 60 14.026 -2.280 -2.375 441 HB3 LYS 60 HB3 LYS 60 13.768 -3.356 -3.716 442 HG2 LYS 60 HG2 LYS 60 16.050 -4.397 -3.094 443 HG3 LYS 60 HG3 LYS 60 15.894 -3.511 -1.555 444 HD2 LYS 60 HD2 LYS 60 13.823 -4.720 -1.047 445 HD3 LYS 60 HD3 LYS 60 13.738 -5.350 -2.687 446 HE2 LYS 60 HE2 LYS 60 14.441 -7.207 -1.517 447 HE3 LYS 60 HE3 LYS 60 15.902 -6.587 -2.277 448 HZ1 LYS 60 HZ1 LYS 60 16.393 -5.533 -0.056 449 HZ2 LYS 60 HZ2 LYS 60 16.383 -7.191 -0.078 450 HZ3 LYS 60 HZ3 LYS 60 15.147 -6.387 0.583 451 H ARG 61 HN ARG 61 13.883 -0.068 -4.991 452 HA ARG 61 HA ARG 61 13.859 -0.971 -7.731 453 HB2 ARG 61 HB2 ARG 61 11.289 -0.774 -6.063 454 HB3 ARG 61 HB3 ARG 61 11.296 -0.787 -7.808 455 HG2 ARG 61 HG2 ARG 61 12.218 -3.075 -6.037 456 HG3 ARG 61 HG3 ARG 61 10.686 -2.945 -6.900 457 HD2 ARG 61 HD2 ARG 61 11.953 -2.895 -9.085 458 HD3 ARG 61 HD3 ARG 61 13.451 -3.113 -8.189 459 HE ARG 61 HE ARG 61 12.969 -5.301 -7.803 460 HH11 ARG 61 HH11 ARG 61 10.067 -3.769 -9.264 461 HH12 ARG 61 HH12 ARG 61 9.121 -5.211 -9.179 462 HH21 ARG 61 HH21 ARG 61 11.712 -7.185 -7.718 463 HH22 ARG 61 HH22 ARG 61 10.107 -7.254 -8.377 464 HA PRO 62 HA PRO 62 13.678 3.433 -8.132 465 HB2 PRO 62 HB2 PRO 62 12.091 3.793 -10.394 466 HB3 PRO 62 HB3 PRO 62 13.814 3.339 -10.414 467 HG2 PRO 62 HG2 PRO 62 11.386 1.549 -10.625 468 HG3 PRO 62 HG3 PRO 62 12.884 1.479 -11.598 469 HD2 PRO 62 HD2 PRO 62 12.513 -0.201 -9.536 470 HD3 PRO 62 HD3 PRO 62 14.108 0.535 -9.817 471 H GLU 63 HN GLU 63 12.470 5.095 -7.415 472 HA GLU 63 HA GLU 63 10.011 4.955 -6.226 473 HB2 GLU 63 HB2 GLU 63 11.618 6.816 -6.026 474 HB3 GLU 63 HB3 GLU 63 11.256 7.344 -7.665 475 HG2 GLU 63 HG2 GLU 63 9.130 8.147 -7.106 476 HG3 GLU 63 HG3 GLU 63 8.988 7.147 -5.669 477 H ALA 64 HN ALA 64 10.591 5.549 -9.658 478 HA ALA 64 HA ALA 64 8.015 6.283 -10.474 479 HB1 ALA 64 HB1 ALA 64 10.033 6.402 -11.892 480 HB2 ALA 64 HB2 ALA 64 10.075 4.628 -11.993 481 HB3 ALA 64 HB3 ALA 64 8.722 5.526 -12.704 482 H GLU 65 HN GLU 65 9.346 2.880 -10.184 483 HA GLU 65 HA GLU 65 7.008 1.626 -11.199 484 HB2 GLU 65 HB2 GLU 65 9.249 0.567 -11.034 485 HB3 GLU 65 HB3 GLU 65 9.136 0.598 -9.259 486 HG2 GLU 65 HG2 GLU 65 7.142 -0.866 -9.356 487 HG3 GLU 65 HG3 GLU 65 7.170 -0.748 -11.120 488 H VAL 66 HN VAL 66 8.040 2.580 -7.921 489 HA VAL 66 HA VAL 66 6.043 1.194 -6.483 490 HB VAL 66 HB VAL 66 7.462 3.789 -5.725 491 HG11 VAL 66 HG11 VAL 66 7.038 3.160 -3.449 492 HG12 VAL 66 HG12 VAL 66 5.497 3.172 -4.273 493 HG13 VAL 66 HG13 VAL 66 6.321 1.629 -3.927 494 HG21 VAL 66 HG21 VAL 66 8.304 0.906 -5.157 495 HG22 VAL 66 HG22 VAL 66 9.078 1.958 -6.351 496 HG23 VAL 66 HG23 VAL 66 9.149 2.401 -4.662 497 H ARG 67 HN ARG 67 6.034 4.527 -7.819 498 HA ARG 67 HA ARG 67 3.466 5.273 -6.772 499 HB2 ARG 67 HB2 ARG 67 4.141 6.247 -9.525 500 HB3 ARG 67 HB3 ARG 67 3.445 7.101 -8.173 501 HG2 ARG 67 HG2 ARG 67 6.337 6.408 -8.677 502 HG3 ARG 67 HG3 ARG 67 5.616 7.966 -8.808 503 HD2 ARG 67 HD2 ARG 67 5.320 6.728 -6.104 504 HD3 ARG 67 HD3 ARG 67 6.981 7.017 -6.596 505 HE ARG 67 HE ARG 67 5.353 9.328 -7.079 506 HH11 ARG 67 HH11 ARG 67 7.261 7.725 -4.535 507 HH12 ARG 67 HH12 ARG 67 7.488 9.223 -3.672 508 HH21 ARG 67 HH21 ARG 67 5.546 11.183 -5.811 509 HH22 ARG 67 HH22 ARG 67 6.391 11.117 -4.296 510 H ALA 68 HN ALA 68 4.392 3.969 -9.934 511 HA ALA 68 HA ALA 68 1.836 3.732 -11.033 512 HB1 ALA 68 HB1 ALA 68 3.945 3.501 -12.291 513 HB2 ALA 68 HB2 ALA 68 4.218 1.915 -11.532 514 HB3 ALA 68 HB3 ALA 68 2.828 2.161 -12.612 515 H LYS 69 HN LYS 69 3.581 1.227 -9.114 516 HA LYS 69 HA LYS 69 1.653 -0.842 -9.207 517 HB2 LYS 69 HB2 LYS 69 4.035 -0.739 -8.093 518 HB3 LYS 69 HB3 LYS 69 3.160 -0.224 -6.648 519 HG2 LYS 69 HG2 LYS 69 3.227 -2.540 -6.399 520 HG3 LYS 69 HG3 LYS 69 1.648 -2.350 -7.098 521 HD2 LYS 69 HD2 LYS 69 2.726 -2.870 -9.400 522 HD3 LYS 69 HD3 LYS 69 4.232 -3.103 -8.517 523 HE2 LYS 69 HE2 LYS 69 3.513 -5.234 -8.847 524 HE3 LYS 69 HE3 LYS 69 3.102 -4.879 -7.164 525 HZ1 LYS 69 HZ1 LYS 69 1.111 -4.651 -9.319 526 HZ2 LYS 69 HZ2 LYS 69 0.821 -4.810 -7.712 527 HZ3 LYS 69 HZ3 LYS 69 1.396 -6.077 -8.577 528 H TYR 70 HN TYR 70 1.994 1.797 -6.821 529 HA TYR 70 HA TYR 70 -0.246 1.046 -5.273 530 HB2 TYR 70 HB2 TYR 70 1.729 2.302 -4.509 531 HB3 TYR 70 HB3 TYR 70 1.264 3.673 -5.494 532 HD1 TYR 70 HD2 TYR 70 -0.498 1.415 -3.000 533 HD2 TYR 70 HD1 TYR 70 0.420 5.448 -4.254 534 HE1 TYR 70 HE2 TYR 70 -1.741 2.311 -1.053 535 HE2 TYR 70 HE1 TYR 70 -0.893 6.299 -2.358 536 HH TYR 70 HH TYR 70 -2.399 4.235 0.119 537 H GLU 71 HN GLU 71 0.110 3.789 -7.560 538 HA GLU 71 HA GLU 71 -2.550 4.756 -7.310 539 HB2 GLU 71 HB2 GLU 71 -0.618 4.927 -9.651 540 HB3 GLU 71 HB3 GLU 71 -2.038 5.929 -9.468 541 HG2 GLU 71 HG2 GLU 71 0.192 5.939 -7.385 542 HG3 GLU 71 HG3 GLU 71 0.296 6.863 -8.858 543 H GLY 72 HN GLY 72 -1.137 2.198 -9.376 544 HA2 GLY 72 HA2 GLY 72 -3.423 1.766 -11.060 545 HA3 GLY 72 HA1 GLY 72 -2.076 0.661 -10.760 546 H LEU 73 HN LEU 73 -2.484 0.603 -7.851 547 HA LEU 73 HA LEU 73 -4.248 -1.561 -7.752 548 HB2 LEU 73 HB2 LEU 73 -2.191 -0.524 -6.152 549 HB3 LEU 73 HB3 LEU 73 -3.586 -0.233 -5.163 550 HG LEU 73 HG LEU 73 -4.193 -2.654 -5.210 551 HD11 LEU 73 HD11 LEU 73 -3.265 -3.366 -7.427 552 HD12 LEU 73 HD12 LEU 73 -2.498 -4.274 -6.141 553 HD13 LEU 73 HD13 LEU 73 -1.636 -2.921 -6.897 554 HD21 LEU 73 HD21 LEU 73 -1.893 -3.354 -4.103 555 HD22 LEU 73 HD22 LEU 73 -2.763 -1.933 -3.436 556 HD23 LEU 73 HD23 LEU 73 -1.376 -1.745 -4.496 557 H MET 74 HN MET 74 -5.025 1.813 -7.459 558 HA MET 74 HA MET 74 -7.122 1.701 -5.599 559 HB2 MET 74 HB2 MET 74 -6.378 3.791 -6.622 560 HB3 MET 74 HB3 MET 74 -7.026 3.295 -8.196 561 HG2 MET 74 HG2 MET 74 -9.296 3.290 -7.327 562 HG3 MET 74 HG3 MET 74 -8.726 3.559 -5.679 563 HE1 MET 74 HE1 MET 74 -8.311 5.742 -4.597 564 HE2 MET 74 HE2 MET 74 -6.809 5.952 -5.530 565 HE3 MET 74 HE3 MET 74 -7.992 7.271 -5.426 566 H ALA 75 HN ALA 75 -7.169 0.677 -9.062 567 HA ALA 75 HA ALA 75 -9.947 0.005 -9.070 568 HB1 ALA 75 HB1 ALA 75 -9.464 -1.189 -11.122 569 HB2 ALA 75 HB2 ALA 75 -8.501 0.304 -11.122 570 HB3 ALA 75 HB3 ALA 75 -7.742 -1.261 -10.729 571 H VAL 76 HN VAL 76 -6.993 -1.982 -8.450 572 HA VAL 76 HA VAL 76 -8.400 -4.480 -8.326 573 HB VAL 76 HB VAL 76 -5.734 -3.741 -7.035 574 HG11 VAL 76 HG11 VAL 76 -5.176 -6.123 -7.333 575 HG12 VAL 76 HG12 VAL 76 -6.629 -5.964 -6.334 576 HG13 VAL 76 HG13 VAL 76 -6.778 -6.428 -8.045 577 HG21 VAL 76 HG21 VAL 76 -5.587 -3.114 -9.397 578 HG22 VAL 76 HG22 VAL 76 -4.684 -4.606 -9.128 579 HG23 VAL 76 HG23 VAL 76 -6.288 -4.675 -9.878 580 H ALA 77 HN ALA 77 -7.309 -2.146 -5.878 581 HA ALA 77 HA ALA 77 -8.015 -3.511 -3.552 582 HB1 ALA 77 HB1 ALA 77 -6.579 -1.537 -3.645 583 HB2 ALA 77 HB2 ALA 77 -7.955 -0.513 -4.112 584 HB3 ALA 77 HB3 ALA 77 -7.934 -1.283 -2.514 585 H LYS 78 HN LYS 78 -9.879 -1.115 -5.555 586 HA LYS 78 HA LYS 78 -12.156 -1.175 -3.825 587 HB2 LYS 78 HB2 LYS 78 -11.776 -0.215 -6.676 588 HB3 LYS 78 HB3 LYS 78 -13.348 -0.188 -5.848 589 HG2 LYS 78 HG2 LYS 78 -12.283 1.138 -3.963 590 HG3 LYS 78 HG3 LYS 78 -10.793 1.212 -4.901 591 HD2 LYS 78 HD2 LYS 78 -11.900 3.273 -5.325 592 HD3 LYS 78 HD3 LYS 78 -12.185 2.295 -6.784 593 HE2 LYS 78 HE2 LYS 78 -14.405 1.580 -5.778 594 HE3 LYS 78 HE3 LYS 78 -14.074 2.635 -4.397 595 HZ1 LYS 78 HZ1 LYS 78 -14.623 3.434 -7.180 596 HZ2 LYS 78 HZ2 LYS 78 -14.014 4.496 -6.092 597 HZ3 LYS 78 HZ3 LYS 78 -15.459 3.798 -5.789 598 H ALA 79 HN ALA 79 -11.442 -3.001 -6.846 599 HA ALA 79 HA ALA 79 -13.905 -4.399 -6.919 600 HB1 ALA 79 HB1 ALA 79 -12.624 -6.095 -8.215 601 HB2 ALA 79 HB2 ALA 79 -12.316 -4.434 -8.772 602 HB3 ALA 79 HB3 ALA 79 -11.114 -5.270 -7.759 603 H GLN 80 HN GLN 80 -10.866 -5.158 -5.049 604 HA GLN 80 HA GLN 80 -11.975 -7.542 -3.906 605 HB2 GLN 80 HB2 GLN 80 -9.707 -5.704 -3.095 606 HB3 GLN 80 HB3 GLN 80 -10.292 -6.986 -2.028 607 HG2 GLN 80 HG2 GLN 80 -9.973 -8.650 -3.869 608 HG3 GLN 80 HG3 GLN 80 -9.196 -7.378 -4.835 609 HE21 GLN 80 HE21 GLN 80 -7.574 -9.466 -4.449 610 HE22 GLN 80 HE22 GLN 80 -6.371 -9.055 -3.227 611 H LEU 81 HN LEU 81 -12.420 -4.113 -2.915 612 HA LEU 81 HA LEU 81 -13.438 -4.911 -0.325 613 HB2 LEU 81 HB2 LEU 81 -13.409 -2.763 0.190 614 HB3 LEU 81 HB3 LEU 81 -12.509 -2.551 -1.289 615 HG LEU 81 HG LEU 81 -14.870 -2.157 -2.369 616 HD11 LEU 81 HD11 LEU 81 -16.607 -1.391 -0.934 617 HD12 LEU 81 HD12 LEU 81 -15.504 -1.318 0.483 618 HD13 LEU 81 HD13 LEU 81 -16.013 -2.846 -0.155 619 HD21 LEU 81 HD21 LEU 81 -14.810 0.237 -1.887 620 HD22 LEU 81 HD22 LEU 81 -13.185 -0.362 -2.192 621 HD23 LEU 81 HD23 LEU 81 -13.673 -0.042 -0.543 622 H MET 82 HN MET 82 -14.829 -4.184 -3.505 623 HA MET 82 HA MET 82 -17.560 -4.371 -2.694 624 HB2 MET 82 HB2 MET 82 -16.233 -4.924 -5.386 625 HB3 MET 82 HB3 MET 82 -17.987 -4.841 -5.140 626 HG2 MET 82 HG2 MET 82 -17.769 -2.522 -4.312 627 HG3 MET 82 HG3 MET 82 -16.035 -2.577 -4.581 628 HE1 MET 82 HE1 MET 82 -17.326 -0.031 -7.250 629 HE2 MET 82 HE2 MET 82 -17.970 -0.305 -5.612 630 HE3 MET 82 HE3 MET 82 -16.213 -0.313 -5.894 631 H ASP 83 HN ASP 83 -15.243 -6.789 -3.840 632 HA ASP 83 HA ASP 83 -17.035 -9.041 -3.851 633 HB2 ASP 83 HB2 ASP 83 -15.106 -8.631 -5.348 634 HB3 ASP 83 HB3 ASP 83 -14.019 -8.746 -3.958 635 H GLU 84 HN GLU 84 -14.906 -7.628 -1.350 636 HA GLU 84 HA GLU 84 -14.460 -9.963 0.100 637 HB2 GLU 84 HB2 GLU 84 -13.739 -8.659 1.893 638 HB3 GLU 84 HB3 GLU 84 -13.319 -7.765 0.465 639 HG2 GLU 84 HG2 GLU 84 -14.490 -6.012 1.034 640 HG3 GLU 84 HG3 GLU 84 -15.951 -6.952 1.350 641 H LEU 85 HN LEU 85 -17.378 -8.390 -0.261 642 HA LEU 85 HA LEU 85 -19.391 -8.270 0.658 643 HB2 LEU 85 HB2 LEU 85 -19.337 -10.667 0.096 644 HB3 LEU 85 HB3 LEU 85 -18.830 -11.025 1.744 645 HG LEU 85 HG LEU 85 -21.197 -9.285 1.726 646 HD11 LEU 85 HD11 LEU 85 -21.462 -12.007 0.376 647 HD12 LEU 85 HD12 LEU 85 -21.614 -10.437 -0.426 648 HD13 LEU 85 HD13 LEU 85 -22.787 -10.901 0.812 649 HD21 LEU 85 HD21 LEU 85 -20.459 -10.615 3.693 650 HD22 LEU 85 HD22 LEU 85 -20.812 -12.107 2.791 651 HD23 LEU 85 HD23 LEU 85 -22.116 -10.974 3.215 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -19.503 8.311 2.071 2 HA2 GLY 1 HA2 GLY 1 -19.374 7.268 -0.186 3 HA3 GLY 1 HA1 GLY 1 -17.892 8.138 0.268 4 H MET 2 HN MET 2 -17.285 6.367 -1.556 5 HA MET 2 HA MET 2 -16.603 3.771 -0.316 6 HB2 MET 2 HB2 MET 2 -15.618 3.229 -2.483 7 HB3 MET 2 HB3 MET 2 -17.329 3.609 -2.564 8 HG2 MET 2 HG2 MET 2 -15.319 5.761 -3.215 9 HG3 MET 2 HG3 MET 2 -15.665 4.476 -4.368 10 HE1 MET 2 HE1 MET 2 -16.898 5.087 -6.254 11 HE2 MET 2 HE2 MET 2 -17.884 6.548 -6.405 12 HE3 MET 2 HE3 MET 2 -16.179 6.674 -5.927 13 H GLN 3 HN GLN 3 -15.255 6.899 -0.456 14 HA GLN 3 HA GLN 3 -12.533 6.451 -0.672 15 HB2 GLN 3 HB2 GLN 3 -14.248 8.592 -0.258 16 HB3 GLN 3 HB3 GLN 3 -13.355 8.582 1.245 17 HG2 GLN 3 HG2 GLN 3 -11.946 8.520 -1.470 18 HG3 GLN 3 HG3 GLN 3 -12.568 10.014 -0.786 19 HE21 GLN 3 HE21 GLN 3 -9.762 8.023 -0.833 20 HE22 GLN 3 HE22 GLN 3 -9.034 8.725 0.611 21 H PHE 4 HN PHE 4 -14.209 4.804 1.634 22 HA PHE 4 HA PHE 4 -11.952 4.854 3.551 23 HB2 PHE 4 HB2 PHE 4 -14.615 5.605 4.022 24 HB3 PHE 4 HB3 PHE 4 -14.306 4.112 4.943 25 HD1 PHE 4 HD1 PHE 4 -12.594 7.394 4.054 26 HD2 PHE 4 HD2 PHE 4 -13.444 4.501 7.139 27 HE1 PHE 4 HE1 PHE 4 -11.350 8.762 5.671 28 HE2 PHE 4 HE2 PHE 4 -12.246 5.927 8.774 29 HZ PHE 4 HZ PHE 4 -11.210 8.059 8.057 30 H LYS 5 HN LYS 5 -14.735 2.837 2.462 31 HA LYS 5 HA LYS 5 -13.449 0.406 3.291 32 HB2 LYS 5 HB2 LYS 5 -15.539 0.988 1.195 33 HB3 LYS 5 HB3 LYS 5 -14.794 -0.607 1.284 34 HG2 LYS 5 HG2 LYS 5 -16.070 0.736 3.695 35 HG3 LYS 5 HG3 LYS 5 -16.905 -0.383 2.618 36 HD2 LYS 5 HD2 LYS 5 -16.072 -2.171 3.705 37 HD3 LYS 5 HD3 LYS 5 -14.434 -1.659 3.357 38 HE2 LYS 5 HE2 LYS 5 -14.137 -1.417 5.542 39 HE3 LYS 5 HE3 LYS 5 -15.068 0.080 5.422 40 HZ1 LYS 5 HZ1 LYS 5 -16.108 -2.638 6.115 41 HZ2 LYS 5 HZ2 LYS 5 -17.073 -1.362 5.902 42 HZ3 LYS 5 HZ3 LYS 5 -15.972 -1.379 7.134 43 H ALA 6 HN ALA 6 -12.829 2.506 0.506 44 HA ALA 6 HA ALA 6 -11.013 0.572 -0.724 45 HB1 ALA 6 HB1 ALA 6 -12.267 2.265 -2.072 46 HB2 ALA 6 HB2 ALA 6 -11.389 3.567 -1.221 47 HB3 ALA 6 HB3 ALA 6 -10.500 2.430 -2.246 48 H GLU 7 HN GLU 7 -10.734 3.123 1.759 49 HA GLU 7 HA GLU 7 -8.172 4.020 1.064 50 HB2 GLU 7 HB2 GLU 7 -8.338 5.407 2.960 51 HB3 GLU 7 HB3 GLU 7 -10.009 5.044 2.564 52 HG2 GLU 7 HG2 GLU 7 -10.194 4.905 4.750 53 HG3 GLU 7 HG3 GLU 7 -9.869 3.215 4.382 54 H ALA 8 HN ALA 8 -9.012 1.756 3.663 55 HA ALA 8 HA ALA 8 -6.145 1.309 4.045 56 HB1 ALA 8 HB1 ALA 8 -8.382 -0.145 5.495 57 HB2 ALA 8 HB2 ALA 8 -6.681 0.076 5.975 58 HB3 ALA 8 HB3 ALA 8 -7.759 1.470 5.947 59 H ARG 9 HN ARG 9 -8.698 -0.256 2.252 60 HA ARG 9 HA ARG 9 -7.253 -2.759 1.930 61 HB2 ARG 9 HB2 ARG 9 -9.709 -2.382 1.331 62 HB3 ARG 9 HB3 ARG 9 -9.174 -1.472 -0.068 63 HG2 ARG 9 HG2 ARG 9 -9.718 -3.806 -0.646 64 HG3 ARG 9 HG3 ARG 9 -8.041 -3.449 -0.992 65 HD2 ARG 9 HD2 ARG 9 -8.466 -5.687 0.008 66 HD3 ARG 9 HD3 ARG 9 -7.283 -4.738 0.885 67 HE ARG 9 HE ARG 9 -9.596 -4.168 2.240 68 HH11 ARG 9 HH11 ARG 9 -7.975 -7.263 1.376 69 HH12 ARG 9 HH12 ARG 9 -8.876 -8.145 2.578 70 HH21 ARG 9 HH21 ARG 9 -10.716 -5.453 3.819 71 HH22 ARG 9 HH22 ARG 9 -10.338 -7.141 3.977 72 H ARG 10 HN ARG 10 -7.279 0.362 0.131 73 HA ARG 10 HA ARG 10 -5.388 -0.360 -1.904 74 HB2 ARG 10 HB2 ARG 10 -6.919 1.627 -1.902 75 HB3 ARG 10 HB3 ARG 10 -5.980 2.372 -0.604 76 HG2 ARG 10 HG2 ARG 10 -4.086 1.649 -2.675 77 HG3 ARG 10 HG3 ARG 10 -5.541 2.187 -3.552 78 HD2 ARG 10 HD2 ARG 10 -3.855 3.707 -1.546 79 HD3 ARG 10 HD3 ARG 10 -4.052 4.069 -3.279 80 HE ARG 10 HE ARG 10 -6.238 4.196 -1.274 81 HH11 ARG 10 HH11 ARG 10 -4.564 5.946 -3.921 82 HH12 ARG 10 HH12 ARG 10 -5.120 7.494 -3.372 83 HH21 ARG 10 HH21 ARG 10 -6.861 6.387 -0.616 84 HH22 ARG 10 HH22 ARG 10 -6.897 7.578 -1.875 85 H ASN 11 HN ASN 11 -4.863 1.437 1.221 86 HA ASN 11 HA ASN 11 -2.069 1.412 0.991 87 HB2 ASN 11 HB2 ASN 11 -3.862 1.672 3.429 88 HB3 ASN 11 HB3 ASN 11 -2.118 1.896 3.467 89 HD21 ASN 11 HD21 ASN 11 -3.484 4.134 4.285 90 HD22 ASN 11 HD22 ASN 11 -3.319 5.319 3.047 91 H LYS 12 HN LYS 12 -4.120 -0.989 2.802 92 HA LYS 12 HA LYS 12 -1.986 -2.592 3.708 93 HB2 LYS 12 HB2 LYS 12 -4.353 -2.787 4.429 94 HB3 LYS 12 HB3 LYS 12 -4.763 -3.504 2.856 95 HG2 LYS 12 HG2 LYS 12 -3.124 -5.363 3.403 96 HG3 LYS 12 HG3 LYS 12 -2.926 -4.628 5.008 97 HD2 LYS 12 HD2 LYS 12 -5.394 -4.894 5.388 98 HD3 LYS 12 HD3 LYS 12 -5.526 -5.646 3.795 99 HE2 LYS 12 HE2 LYS 12 -5.441 -7.453 5.305 100 HE3 LYS 12 HE3 LYS 12 -3.840 -7.384 4.557 101 HZ1 LYS 12 HZ1 LYS 12 -4.521 -6.292 7.232 102 HZ2 LYS 12 HZ2 LYS 12 -3.025 -6.325 6.591 103 HZ3 LYS 12 HZ3 LYS 12 -3.811 -7.725 6.960 104 H LEU 13 HN LEU 13 -3.842 -2.956 0.577 105 HA LEU 13 HA LEU 13 -2.519 -5.212 -0.366 106 HB2 LEU 13 HB2 LEU 13 -3.727 -2.813 -1.754 107 HB3 LEU 13 HB3 LEU 13 -2.867 -4.041 -2.688 108 HG LEU 13 HG LEU 13 -5.193 -4.793 -0.919 109 HD11 LEU 13 HD11 LEU 13 -6.501 -4.704 -3.049 110 HD12 LEU 13 HD12 LEU 13 -5.090 -4.056 -3.895 111 HD13 LEU 13 HD13 LEU 13 -5.878 -3.112 -2.610 112 HD21 LEU 13 HD21 LEU 13 -3.463 -6.538 -1.660 113 HD22 LEU 13 HD22 LEU 13 -3.895 -6.165 -3.334 114 HD23 LEU 13 HD23 LEU 13 -5.087 -6.846 -2.209 115 H MET 14 HN MET 14 -1.482 -1.714 -0.778 116 HA MET 14 HA MET 14 0.763 -2.252 -2.338 117 HB2 MET 14 HB2 MET 14 -0.268 -0.039 -1.858 118 HB3 MET 14 HB3 MET 14 0.320 -0.143 -0.195 119 HG2 MET 14 HG2 MET 14 1.786 1.273 -1.518 120 HG3 MET 14 HG3 MET 14 2.650 -0.164 -1.000 121 HE1 MET 14 HE1 MET 14 4.245 0.825 -4.395 122 HE2 MET 14 HE2 MET 14 3.462 1.959 -3.267 123 HE3 MET 14 HE3 MET 14 4.468 0.632 -2.645 124 H GLY 15 HN GLY 15 0.367 -2.274 1.231 125 HA2 GLY 15 HA2 GLY 15 3.032 -2.764 1.984 126 HA3 GLY 15 HA1 GLY 15 1.587 -3.294 2.870 127 H LEU 16 HN LEU 16 0.499 -5.247 0.962 128 HA LEU 16 HA LEU 16 2.226 -7.448 1.498 129 HB2 LEU 16 HB2 LEU 16 -0.168 -7.105 -0.359 130 HB3 LEU 16 HB3 LEU 16 0.772 -8.568 -0.282 131 HG LEU 16 HG LEU 16 -1.067 -9.021 1.008 132 HD11 LEU 16 HD11 LEU 16 -0.286 -9.512 3.221 133 HD12 LEU 16 HD12 LEU 16 0.959 -8.259 3.130 134 HD13 LEU 16 HD13 LEU 16 1.076 -9.709 2.109 135 HD21 LEU 16 HD21 LEU 16 -1.929 -7.644 2.836 136 HD22 LEU 16 HD22 LEU 16 -1.927 -6.756 1.303 137 HD23 LEU 16 HD23 LEU 16 -0.679 -6.431 2.510 138 H TRP 17 HN TRP 17 1.783 -5.403 -1.418 139 HA TRP 17 HA TRP 17 3.481 -7.007 -3.099 140 HB2 TRP 17 HB2 TRP 17 1.946 -5.374 -4.071 141 HB3 TRP 17 HB3 TRP 17 2.778 -4.053 -3.249 142 HD1 TRP 17 HD1 TRP 17 3.588 -6.799 -5.855 143 HE1 TRP 17 HE1 TRP 17 5.491 -6.007 -7.366 144 HE3 TRP 17 HE3 TRP 17 4.407 -2.191 -3.812 145 HZ2 TRP 17 HZ2 TRP 17 7.218 -3.694 -7.643 146 HZ3 TRP 17 HZ3 TRP 17 6.226 -0.726 -4.683 147 HH2 TRP 17 HH2 TRP 17 7.612 -1.482 -6.632 148 H VAL 18 HN VAL 18 4.181 -4.009 -1.227 149 HA VAL 18 HA VAL 18 6.936 -3.884 -1.798 150 HB VAL 18 HB VAL 18 5.343 -2.912 0.600 151 HG11 VAL 18 HG11 VAL 18 8.182 -2.153 -0.227 152 HG12 VAL 18 HG12 VAL 18 7.210 -1.302 0.998 153 HG13 VAL 18 HG13 VAL 18 7.704 -2.969 1.274 154 HG21 VAL 18 HG21 VAL 18 4.684 -1.921 -1.592 155 HG22 VAL 18 HG22 VAL 18 5.420 -0.744 -0.514 156 HG23 VAL 18 HG23 VAL 18 6.367 -1.425 -1.857 157 H ALA 19 HN ALA 19 5.236 -5.561 0.919 158 HA ALA 19 HA ALA 19 7.467 -6.528 2.260 159 HB1 ALA 19 HB1 ALA 19 5.143 -6.668 3.075 160 HB2 ALA 19 HB2 ALA 19 4.774 -7.876 1.812 161 HB3 ALA 19 HB3 ALA 19 5.915 -8.236 3.121 162 H GLU 20 HN GLU 20 5.833 -8.032 -0.626 163 HA GLU 20 HA GLU 20 7.653 -10.268 -0.612 164 HB2 GLU 20 HB2 GLU 20 5.500 -10.522 -1.538 165 HB3 GLU 20 HB3 GLU 20 5.685 -9.139 -2.604 166 HG2 GLU 20 HG2 GLU 20 7.125 -10.245 -4.059 167 HG3 GLU 20 HG3 GLU 20 7.629 -11.419 -2.843 168 H VAL 21 HN VAL 21 7.758 -6.986 -2.082 169 HA VAL 21 HA VAL 21 10.078 -7.550 -3.695 170 HB VAL 21 HB VAL 21 9.101 -4.892 -2.555 171 HG11 VAL 21 HG11 VAL 21 10.445 -3.879 -4.335 172 HG12 VAL 21 HG12 VAL 21 11.469 -4.752 -3.208 173 HG13 VAL 21 HG13 VAL 21 11.103 -5.477 -4.787 174 HG21 VAL 21 HG21 VAL 21 8.295 -4.516 -4.886 175 HG22 VAL 21 HG22 VAL 21 8.682 -6.211 -5.274 176 HG23 VAL 21 HG23 VAL 21 7.442 -5.803 -4.075 177 H LEU 22 HN LEU 22 9.690 -6.588 -0.226 178 HA LEU 22 HA LEU 22 12.512 -6.448 0.302 179 HB2 LEU 22 HB2 LEU 22 9.962 -6.485 1.895 180 HB3 LEU 22 HB3 LEU 22 11.416 -7.047 2.719 181 HG LEU 22 HG LEU 22 12.597 -4.989 2.185 182 HD11 LEU 22 HD11 LEU 22 11.512 -4.310 0.126 183 HD12 LEU 22 HD12 LEU 22 11.360 -3.015 1.314 184 HD13 LEU 22 HD13 LEU 22 9.966 -4.057 0.957 185 HD21 LEU 22 HD21 LEU 22 10.379 -5.240 4.001 186 HD22 LEU 22 HD22 LEU 22 10.442 -3.558 3.401 187 HD23 LEU 22 HD23 LEU 22 11.857 -4.283 4.159 188 H GLY 23 HN GLY 23 10.415 -9.221 -0.145 189 HA2 GLY 23 HA2 GLY 23 11.151 -11.472 -0.170 190 HA3 GLY 23 HA1 GLY 23 12.582 -11.033 0.774 191 H LYS 24 HN LYS 24 9.617 -9.665 1.962 192 HA LYS 24 HA LYS 24 9.571 -11.368 4.347 193 HB2 LYS 24 HB2 LYS 24 7.693 -9.297 3.203 194 HB3 LYS 24 HB3 LYS 24 7.329 -10.179 4.677 195 HG2 LYS 24 HG2 LYS 24 9.411 -9.282 5.708 196 HG3 LYS 24 HG3 LYS 24 9.727 -8.333 4.254 197 HD2 LYS 24 HD2 LYS 24 7.750 -7.034 4.550 198 HD3 LYS 24 HD3 LYS 24 7.095 -8.080 5.788 199 HE2 LYS 24 HE2 LYS 24 9.672 -6.471 6.048 200 HE3 LYS 24 HE3 LYS 24 8.125 -5.877 6.601 201 HZ1 LYS 24 HZ1 LYS 24 8.041 -7.498 8.271 202 HZ2 LYS 24 HZ2 LYS 24 9.538 -6.910 8.339 203 HZ3 LYS 24 HZ3 LYS 24 9.300 -8.397 7.673 204 H SER 25 HN SER 25 7.645 -12.610 4.904 205 HA SER 25 HA SER 25 6.184 -13.798 2.636 206 HB2 SER 25 HB2 SER 25 7.542 -15.223 4.968 207 HB3 SER 25 HB3 SER 25 6.540 -16.025 3.753 208 HG SER 25 HG SER 25 8.071 -15.799 2.293 209 H GLY 26 HN GLY 26 4.464 -15.418 3.860 210 HA2 GLY 26 HA2 GLY 26 2.410 -13.960 3.838 211 HA3 GLY 26 HA1 GLY 26 2.456 -15.328 4.980 212 H ASP 27 HN ASP 27 3.128 -14.961 7.192 213 HA ASP 27 HA ASP 27 1.306 -13.040 8.237 214 HB2 ASP 27 HB2 ASP 27 3.502 -14.585 9.663 215 HB3 ASP 27 HB3 ASP 27 2.166 -13.754 10.425 216 H GLU 28 HN GLU 28 4.742 -13.040 7.750 217 HA GLU 28 HA GLU 28 5.603 -10.691 9.121 218 HB2 GLU 28 HB2 GLU 28 6.627 -12.669 7.190 219 HB3 GLU 28 HB3 GLU 28 7.026 -11.056 6.645 220 HG2 GLU 28 HG2 GLU 28 7.717 -11.011 9.314 221 HG3 GLU 28 HG3 GLU 28 8.127 -12.656 8.839 222 H ALA 29 HN ALA 29 4.466 -11.244 5.834 223 HA ALA 29 HA ALA 29 4.754 -8.580 4.885 224 HB1 ALA 29 HB1 ALA 29 3.568 -9.545 2.905 225 HB2 ALA 29 HB2 ALA 29 4.793 -10.701 3.488 226 HB3 ALA 29 HB3 ALA 29 3.089 -10.953 3.853 227 H ASN 30 HN ASN 30 2.224 -10.314 6.482 228 HA ASN 30 HA ASN 30 0.067 -8.411 5.900 229 HB2 ASN 30 HB2 ASN 30 0.282 -10.899 7.598 230 HB3 ASN 30 HB3 ASN 30 -1.004 -9.751 7.916 231 HD21 ASN 30 HD21 ASN 30 0.320 -11.951 5.465 232 HD22 ASN 30 HD22 ASN 30 -1.210 -12.193 4.656 233 H ALA 31 HN ALA 31 2.280 -9.173 8.624 234 HA ALA 31 HA ALA 31 1.353 -7.133 10.394 235 HB1 ALA 31 HB1 ALA 31 3.555 -7.411 11.464 236 HB2 ALA 31 HB2 ALA 31 2.808 -8.982 11.119 237 HB3 ALA 31 HB3 ALA 31 4.125 -8.371 10.091 238 H TYR 32 HN TYR 32 3.859 -7.156 7.779 239 HA TYR 32 HA TYR 32 4.642 -4.431 8.162 240 HB2 TYR 32 HB2 TYR 32 5.956 -5.983 6.822 241 HB3 TYR 32 HB3 TYR 32 4.659 -6.114 5.623 242 HD1 TYR 32 HD1 TYR 32 7.200 -3.799 7.124 243 HD2 TYR 32 HD2 TYR 32 4.276 -4.352 4.005 244 HE1 TYR 32 HE1 TYR 32 7.979 -1.769 6.082 245 HE2 TYR 32 HE2 TYR 32 5.117 -2.286 2.876 246 HH TYR 32 HH TYR 32 7.602 -0.205 4.457 247 H ALA 33 HN ALA 33 2.076 -5.905 6.139 248 HA ALA 33 HA ALA 33 1.150 -3.491 5.025 249 HB1 ALA 33 HB1 ALA 33 -0.408 -6.058 5.497 250 HB2 ALA 33 HB2 ALA 33 -0.747 -4.794 4.296 251 HB3 ALA 33 HB3 ALA 33 0.725 -5.769 4.153 252 H ALA 34 HN ALA 34 1.082 -4.050 8.307 253 HA ALA 34 HA ALA 34 -1.342 -2.340 8.654 254 HB1 ALA 34 HB1 ALA 34 -1.270 -4.278 10.124 255 HB2 ALA 34 HB2 ALA 34 0.327 -3.801 10.718 256 HB3 ALA 34 HB3 ALA 34 -1.080 -2.771 11.044 257 H GLU 35 HN GLU 35 2.202 -2.337 8.611 258 HA GLU 35 HA GLU 35 2.604 0.050 10.167 259 HB2 GLU 35 HB2 GLU 35 4.339 -1.115 7.930 260 HB3 GLU 35 HB3 GLU 35 4.824 0.078 9.153 261 HG2 GLU 35 HG2 GLU 35 4.523 -1.552 10.941 262 HG3 GLU 35 HG3 GLU 35 3.917 -2.754 9.809 263 H VAL 36 HN VAL 36 2.127 -0.700 6.756 264 HA VAL 36 HA VAL 36 2.341 1.934 5.672 265 HB VAL 36 HB VAL 36 1.023 -0.606 4.603 266 HG11 VAL 36 HG11 VAL 36 2.123 1.797 3.092 267 HG12 VAL 36 HG12 VAL 36 1.645 0.248 2.344 268 HG13 VAL 36 HG13 VAL 36 0.429 1.235 3.143 269 HG21 VAL 36 HG21 VAL 36 3.903 0.359 4.307 270 HG22 VAL 36 HG22 VAL 36 3.374 -1.077 5.204 271 HG23 VAL 36 HG23 VAL 36 3.189 -1.017 3.461 272 H VAL 37 HN VAL 37 -0.016 0.721 7.656 273 HA VAL 37 HA VAL 37 -2.312 2.288 6.576 274 HB VAL 37 HB VAL 37 -2.014 -0.286 8.113 275 HG11 VAL 37 HG11 VAL 37 -4.539 -0.552 7.825 276 HG12 VAL 37 HG12 VAL 37 -3.965 0.559 9.074 277 HG13 VAL 37 HG13 VAL 37 -4.565 1.212 7.547 278 HG21 VAL 37 HG21 VAL 37 -3.192 0.304 5.368 279 HG22 VAL 37 HG22 VAL 37 -1.642 -0.496 5.688 280 HG23 VAL 37 HG23 VAL 37 -3.141 -1.305 6.131 281 H LYS 38 HN LYS 38 0.047 2.221 8.795 282 HA LYS 38 HA LYS 38 -1.291 3.898 10.844 283 HB2 LYS 38 HB2 LYS 38 -0.368 2.101 11.937 284 HB3 LYS 38 HB3 LYS 38 0.967 1.929 10.809 285 HG2 LYS 38 HG2 LYS 38 2.054 3.830 11.576 286 HG3 LYS 38 HG3 LYS 38 0.765 4.233 12.741 287 HD2 LYS 38 HD2 LYS 38 2.440 1.701 12.832 288 HD3 LYS 38 HD3 LYS 38 2.827 3.203 13.694 289 HE2 LYS 38 HE2 LYS 38 0.593 3.068 14.847 290 HE3 LYS 38 HE3 LYS 38 0.352 1.491 14.074 291 HZ1 LYS 38 HZ1 LYS 38 2.462 2.203 16.009 292 HZ2 LYS 38 HZ2 LYS 38 2.451 0.798 15.145 293 HZ3 LYS 38 HZ3 LYS 38 1.237 1.115 16.202 294 H ALA 39 HN ALA 39 -0.048 4.535 7.896 295 HA ALA 39 HA ALA 39 1.602 6.794 8.783 296 HB1 ALA 39 HB1 ALA 39 3.200 4.897 8.563 297 HB2 ALA 39 HB2 ALA 39 2.626 4.644 6.899 298 HB3 ALA 39 HB3 ALA 39 3.477 6.139 7.290 299 H ASP 40 HN ASP 40 -0.823 7.022 7.880 300 HA ASP 40 HA ASP 40 -0.753 8.185 5.180 301 HB2 ASP 40 HB2 ASP 40 -2.781 6.809 4.665 302 HB3 ASP 40 HB3 ASP 40 -1.274 5.926 4.709 303 H PHE 41 HN PHE 41 -0.734 9.410 7.623 304 HA PHE 41 HA PHE 41 -3.543 10.301 8.124 305 HB2 PHE 41 HB2 PHE 41 -1.349 10.008 10.192 306 HB3 PHE 41 HB3 PHE 41 -3.032 10.414 10.470 307 HD1 PHE 41 HD2 PHE 41 -4.414 8.228 8.755 308 HD2 PHE 41 HD1 PHE 41 -1.014 8.059 11.440 309 HE1 PHE 41 HE2 PHE 41 -4.880 5.837 9.270 310 HE2 PHE 41 HE1 PHE 41 -1.508 5.767 11.935 311 HZ PHE 41 HZ PHE 41 -3.502 4.636 10.926 312 H GLU 42 HN GLU 42 -0.248 11.509 9.158 313 HA GLU 42 HA GLU 42 -1.288 14.192 9.258 314 HB2 GLU 42 HB2 GLU 42 1.556 13.121 9.404 315 HB3 GLU 42 HB3 GLU 42 1.093 14.787 9.761 316 HG2 GLU 42 HG2 GLU 42 -0.386 13.964 11.603 317 HG3 GLU 42 HG3 GLU 42 0.219 12.323 11.314 318 H GLU 43 HN GLU 43 -0.199 12.468 6.598 319 HA GLU 43 HA GLU 43 1.171 14.542 5.121 320 HB2 GLU 43 HB2 GLU 43 0.797 12.914 3.214 321 HB3 GLU 43 HB3 GLU 43 1.679 12.281 4.601 322 HG2 GLU 43 HG2 GLU 43 -0.183 10.997 5.371 323 HG3 GLU 43 HG3 GLU 43 -1.317 11.877 4.339 324 H ALA 44 HN ALA 44 0.164 14.879 2.732 325 HA ALA 44 HA ALA 44 -2.623 15.796 3.012 326 HB1 ALA 44 HB1 ALA 44 -1.958 17.984 2.070 327 HB2 ALA 44 HB2 ALA 44 -1.011 17.668 3.536 328 HB3 ALA 44 HB3 ALA 44 -0.272 17.438 1.937 329 H GLY 45 HN GLY 45 -1.273 13.582 1.571 330 HA2 GLY 45 HA2 GLY 45 -2.881 13.179 -0.575 331 HA3 GLY 45 HA1 GLY 45 -1.687 14.281 -1.290 332 H HIS 46 HN HIS 46 -1.709 11.310 0.719 333 HA HIS 46 HA HIS 46 -0.385 9.464 0.709 334 HB2 HIS 46 HB2 HIS 46 -1.208 9.430 -2.178 335 HB3 HIS 46 HB3 HIS 46 -0.858 8.100 -1.128 336 HD1 HIS 46 HD1 HIS 46 -3.798 10.220 -2.277 337 HD2 HIS 46 HD2 HIS 46 -2.452 7.816 0.818 338 HE1 HIS 46 HE1 HIS 46 -5.893 9.615 -0.969 339 H GLU 47 HN GLU 47 1.510 10.674 1.192 340 HA GLU 47 HA GLU 47 3.586 10.693 -0.959 341 HB2 GLU 47 HB2 GLU 47 2.291 12.968 -0.317 342 HB3 GLU 47 HB3 GLU 47 3.373 12.959 1.057 343 HG2 GLU 47 HG2 GLU 47 4.419 14.233 -0.700 344 HG3 GLU 47 HG3 GLU 47 5.330 12.744 -0.521 345 H ASP 48 HN ASP 48 2.789 10.847 2.547 346 HA ASP 48 HA ASP 48 5.524 10.196 3.397 347 HB2 ASP 48 HB2 ASP 48 3.848 11.459 4.799 348 HB3 ASP 48 HB3 ASP 48 2.875 9.988 4.904 349 H VAL 49 HN VAL 49 2.425 8.638 2.679 350 HA VAL 49 HA VAL 49 3.091 5.940 3.135 351 HB VAL 49 HB VAL 49 1.494 7.265 0.865 352 HG11 VAL 49 HG11 VAL 49 1.968 4.949 0.217 353 HG12 VAL 49 HG12 VAL 49 1.443 4.389 1.820 354 HG13 VAL 49 HG13 VAL 49 0.264 5.113 0.682 355 HG21 VAL 49 HG21 VAL 49 0.459 5.978 3.409 356 HG22 VAL 49 HG22 VAL 49 0.642 7.710 3.216 357 HG23 VAL 49 HG23 VAL 49 -0.499 6.849 2.182 358 H MET 50 HN MET 50 4.107 8.084 0.429 359 HA MET 50 HA MET 50 5.358 5.873 -1.044 360 HB2 MET 50 HB2 MET 50 5.856 8.842 -1.426 361 HB3 MET 50 HB3 MET 50 6.313 7.520 -2.490 362 HG2 MET 50 HG2 MET 50 3.443 8.305 -1.927 363 HG3 MET 50 HG3 MET 50 4.437 8.891 -3.248 364 HE1 MET 50 HE1 MET 50 3.743 5.104 -1.877 365 HE2 MET 50 HE2 MET 50 2.248 6.081 -1.894 366 HE3 MET 50 HE3 MET 50 2.482 4.741 -3.045 367 H ARG 51 HN ARG 51 6.657 8.708 0.932 368 HA ARG 51 HA ARG 51 9.218 7.837 0.758 369 HB2 ARG 51 HB2 ARG 51 7.843 9.973 1.974 370 HB3 ARG 51 HB3 ARG 51 8.512 9.084 3.382 371 HG2 ARG 51 HG2 ARG 51 10.632 8.905 2.012 372 HG3 ARG 51 HG3 ARG 51 9.976 10.079 0.895 373 HD2 ARG 51 HD2 ARG 51 10.747 10.475 3.807 374 HD3 ARG 51 HD3 ARG 51 11.503 11.194 2.376 375 HE ARG 51 HE ARG 51 9.248 12.124 3.862 376 HH11 ARG 51 HH11 ARG 51 9.790 11.905 0.339 377 HH12 ARG 51 HH12 ARG 51 9.199 13.487 0.045 378 HH21 ARG 51 HH21 ARG 51 8.592 14.138 3.487 379 HH22 ARG 51 HH22 ARG 51 8.190 14.719 1.911 380 H LYS 52 HN LYS 52 6.744 6.715 3.046 381 HA LYS 52 HA LYS 52 8.376 5.223 4.737 382 HB2 LYS 52 HB2 LYS 52 5.857 5.602 4.949 383 HB3 LYS 52 HB3 LYS 52 5.644 4.297 3.768 384 HG2 LYS 52 HG2 LYS 52 7.301 2.984 5.421 385 HG3 LYS 52 HG3 LYS 52 6.811 4.250 6.551 386 HD2 LYS 52 HD2 LYS 52 4.387 3.549 6.011 387 HD3 LYS 52 HD3 LYS 52 5.085 2.196 5.117 388 HE2 LYS 52 HE2 LYS 52 4.547 1.428 7.341 389 HE3 LYS 52 HE3 LYS 52 6.298 1.469 7.170 390 HZ1 LYS 52 HZ1 LYS 52 4.829 3.733 8.382 391 HZ2 LYS 52 HZ2 LYS 52 6.422 3.377 8.514 392 HZ3 LYS 52 HZ3 LYS 52 5.337 2.466 9.289 393 H VAL 53 HN VAL 53 6.734 4.066 1.679 394 HA VAL 53 HA VAL 53 7.955 1.490 1.973 395 HB VAL 53 HB VAL 53 7.022 1.028 -0.232 396 HG11 VAL 53 HG11 VAL 53 5.065 2.429 1.634 397 HG12 VAL 53 HG12 VAL 53 4.638 1.250 0.382 398 HG13 VAL 53 HG13 VAL 53 5.640 0.753 1.766 399 HG21 VAL 53 HG21 VAL 53 7.291 3.314 -1.261 400 HG22 VAL 53 HG22 VAL 53 5.711 2.571 -1.528 401 HG23 VAL 53 HG23 VAL 53 5.912 3.846 -0.319 402 H LEU 54 HN LEU 54 8.801 4.454 0.146 403 HA LEU 54 HA LEU 54 10.808 3.166 -1.411 404 HB2 LEU 54 HB2 LEU 54 10.120 6.025 -0.742 405 HB3 LEU 54 HB3 LEU 54 11.696 5.672 -1.404 406 HG LEU 54 HG LEU 54 10.314 6.347 -3.138 407 HD11 LEU 54 HD11 LEU 54 10.679 4.677 -4.779 408 HD12 LEU 54 HD12 LEU 54 10.572 3.359 -3.591 409 HD13 LEU 54 HD13 LEU 54 11.958 4.474 -3.584 410 HD21 LEU 54 HD21 LEU 54 8.370 4.166 -2.723 411 HD22 LEU 54 HD22 LEU 54 8.369 5.340 -4.041 412 HD23 LEU 54 HD23 LEU 54 8.087 5.893 -2.406 413 H GLY 55 HN GLY 55 10.940 4.864 1.760 414 HA2 GLY 55 HA2 GLY 55 13.747 4.566 2.192 415 HA3 GLY 55 HA1 GLY 55 12.495 4.769 3.431 416 H ASP 56 HN ASP 56 10.928 2.518 3.131 417 HA ASP 56 HA ASP 56 12.440 0.511 4.466 418 HB2 ASP 56 HB2 ASP 56 9.699 0.469 3.153 419 HB3 ASP 56 HB3 ASP 56 10.379 -0.934 3.959 420 H LEU 57 HN LEU 57 11.615 0.926 1.036 421 HA LEU 57 HA LEU 57 12.611 -1.616 0.126 422 HB2 LEU 57 HB2 LEU 57 12.038 1.046 -1.210 423 HB3 LEU 57 HB3 LEU 57 12.808 -0.236 -2.113 424 HG LEU 57 HG LEU 57 10.120 -0.633 -0.735 425 HD11 LEU 57 HD11 LEU 57 9.152 -0.338 -3.004 426 HD12 LEU 57 HD12 LEU 57 10.762 0.113 -3.621 427 HD13 LEU 57 HD13 LEU 57 9.950 1.148 -2.436 428 HD21 LEU 57 HD21 LEU 57 11.452 -2.172 -2.989 429 HD22 LEU 57 HD22 LEU 57 9.923 -2.550 -2.176 430 HD23 LEU 57 HD23 LEU 57 11.426 -2.693 -1.284 431 H ASP 58 HN ASP 58 14.298 1.245 1.123 432 HA ASP 58 HA ASP 58 16.469 1.725 1.369 433 HB2 ASP 58 HB2 ASP 58 16.477 -0.687 2.141 434 HB3 ASP 58 HB3 ASP 58 17.016 -1.161 0.543 435 H GLY 59 HN GLY 59 15.228 1.062 -1.543 436 HA2 GLY 59 HA2 GLY 59 16.125 2.287 -3.574 437 HA3 GLY 59 HA1 GLY 59 17.701 1.646 -3.148 438 H LYS 60 HN LYS 60 15.073 -0.634 -2.599 439 HA LYS 60 HA LYS 60 16.128 -2.464 -4.425 440 HB2 LYS 60 HB2 LYS 60 13.849 -2.313 -2.622 441 HB3 LYS 60 HB3 LYS 60 13.597 -3.374 -3.966 442 HG2 LYS 60 HG2 LYS 60 15.624 -4.619 -3.437 443 HG3 LYS 60 HG3 LYS 60 15.990 -3.526 -2.071 444 HD2 LYS 60 HD2 LYS 60 14.101 -4.265 -0.846 445 HD3 LYS 60 HD3 LYS 60 13.379 -5.063 -2.225 446 HE2 LYS 60 HE2 LYS 60 16.021 -5.981 -1.062 447 HE3 LYS 60 HE3 LYS 60 14.467 -6.556 -0.459 448 HZ1 LYS 60 HZ1 LYS 60 15.195 -8.107 -2.016 449 HZ2 LYS 60 HZ2 LYS 60 15.565 -6.980 -3.151 450 HZ3 LYS 60 HZ3 LYS 60 13.982 -7.315 -2.750 451 H ARG 61 HN ARG 61 13.432 -0.120 -4.932 452 HA ARG 61 HA ARG 61 13.279 -1.073 -7.721 453 HB2 ARG 61 HB2 ARG 61 10.890 -0.985 -5.824 454 HB3 ARG 61 HB3 ARG 61 10.716 -1.025 -7.573 455 HG2 ARG 61 HG2 ARG 61 12.034 -3.176 -5.895 456 HG3 ARG 61 HG3 ARG 61 10.394 -3.206 -6.555 457 HD2 ARG 61 HD2 ARG 61 11.383 -3.112 -8.878 458 HD3 ARG 61 HD3 ARG 61 12.993 -3.216 -8.158 459 HE ARG 61 HE ARG 61 12.686 -5.420 -7.638 460 HH11 ARG 61 HH11 ARG 61 9.543 -4.115 -8.714 461 HH12 ARG 61 HH12 ARG 61 8.710 -5.620 -8.526 462 HH21 ARG 61 HH21 ARG 61 11.687 -7.343 -7.442 463 HH22 ARG 61 HH22 ARG 61 10.009 -7.614 -7.809 464 HA PRO 62 HA PRO 62 13.215 3.147 -8.457 465 HB2 PRO 62 HB2 PRO 62 11.846 3.359 -10.863 466 HB3 PRO 62 HB3 PRO 62 13.520 2.765 -10.713 467 HG2 PRO 62 HG2 PRO 62 11.004 1.160 -10.968 468 HG3 PRO 62 HG3 PRO 62 12.589 0.878 -11.760 469 HD2 PRO 62 HD2 PRO 62 11.790 -0.508 -9.558 470 HD3 PRO 62 HD3 PRO 62 13.501 -0.046 -9.802 471 H GLU 63 HN GLU 63 12.043 4.924 -7.919 472 HA GLU 63 HA GLU 63 9.574 4.649 -6.682 473 HB2 GLU 63 HB2 GLU 63 11.215 6.428 -6.330 474 HB3 GLU 63 HB3 GLU 63 10.796 7.158 -7.867 475 HG2 GLU 63 HG2 GLU 63 8.709 7.877 -7.124 476 HG3 GLU 63 HG3 GLU 63 8.547 6.598 -5.926 477 H ALA 64 HN ALA 64 10.227 5.278 -10.095 478 HA ALA 64 HA ALA 64 7.600 5.964 -10.932 479 HB1 ALA 64 HB1 ALA 64 9.319 6.134 -12.558 480 HB2 ALA 64 HB2 ALA 64 9.792 4.425 -12.348 481 HB3 ALA 64 HB3 ALA 64 8.256 4.849 -13.123 482 H GLU 65 HN GLU 65 9.035 2.589 -10.725 483 HA GLU 65 HA GLU 65 6.638 1.250 -11.377 484 HB2 GLU 65 HB2 GLU 65 8.961 0.273 -11.390 485 HB3 GLU 65 HB3 GLU 65 8.953 0.302 -9.614 486 HG2 GLU 65 HG2 GLU 65 6.845 -1.156 -9.722 487 HG3 GLU 65 HG3 GLU 65 7.117 -1.216 -11.482 488 H VAL 66 HN VAL 66 8.117 2.092 -8.229 489 HA VAL 66 HA VAL 66 6.222 0.785 -6.622 490 HB VAL 66 HB VAL 66 8.016 3.176 -6.022 491 HG11 VAL 66 HG11 VAL 66 6.505 1.335 -4.127 492 HG12 VAL 66 HG12 VAL 66 7.892 2.290 -3.637 493 HG13 VAL 66 HG13 VAL 66 6.428 3.105 -4.219 494 HG21 VAL 66 HG21 VAL 66 9.621 1.601 -5.202 495 HG22 VAL 66 HG22 VAL 66 8.494 0.240 -5.358 496 HG23 VAL 66 HG23 VAL 66 9.173 1.021 -6.793 497 H ARG 67 HN ARG 67 6.300 4.305 -7.535 498 HA ARG 67 HA ARG 67 3.844 4.771 -6.105 499 HB2 ARG 67 HB2 ARG 67 3.968 6.989 -6.771 500 HB3 ARG 67 HB3 ARG 67 5.641 6.471 -6.602 501 HG2 ARG 67 HG2 ARG 67 5.340 6.030 -9.255 502 HG3 ARG 67 HG3 ARG 67 4.076 7.236 -9.047 503 HD2 ARG 67 HD2 ARG 67 7.051 7.488 -8.478 504 HD3 ARG 67 HD3 ARG 67 6.137 8.281 -9.753 505 HE ARG 67 HE ARG 67 5.102 9.090 -7.214 506 HH11 ARG 67 HH11 ARG 67 7.990 9.425 -9.230 507 HH12 ARG 67 HH12 ARG 67 8.390 11.016 -8.700 508 HH21 ARG 67 HH21 ARG 67 5.662 11.207 -6.403 509 HH22 ARG 67 HH22 ARG 67 6.968 12.086 -7.150 510 H ALA 68 HN ALA 68 4.526 3.876 -9.538 511 HA ALA 68 HA ALA 68 1.823 4.263 -10.414 512 HB1 ALA 68 HB1 ALA 68 2.392 2.745 -12.249 513 HB2 ALA 68 HB2 ALA 68 3.642 3.985 -12.030 514 HB3 ALA 68 HB3 ALA 68 3.922 2.323 -11.449 515 H LYS 69 HN LYS 69 3.487 1.491 -8.837 516 HA LYS 69 HA LYS 69 1.452 -0.415 -9.039 517 HB2 LYS 69 HB2 LYS 69 3.833 -0.581 -7.930 518 HB3 LYS 69 HB3 LYS 69 3.043 0.008 -6.472 519 HG2 LYS 69 HG2 LYS 69 2.879 -2.264 -6.162 520 HG3 LYS 69 HG3 LYS 69 1.334 -1.959 -6.889 521 HD2 LYS 69 HD2 LYS 69 2.512 -2.512 -9.175 522 HD3 LYS 69 HD3 LYS 69 3.876 -3.007 -8.177 523 HE2 LYS 69 HE2 LYS 69 2.851 -5.040 -8.457 524 HE3 LYS 69 HE3 LYS 69 2.124 -4.507 -6.929 525 HZ1 LYS 69 HZ1 LYS 69 0.386 -5.242 -8.249 526 HZ2 LYS 69 HZ2 LYS 69 0.940 -4.528 -9.624 527 HZ3 LYS 69 HZ3 LYS 69 0.277 -3.601 -8.452 528 H TYR 70 HN TYR 70 1.930 2.109 -6.565 529 HA TYR 70 HA TYR 70 -0.385 1.557 -5.021 530 HB2 TYR 70 HB2 TYR 70 1.623 2.759 -4.244 531 HB3 TYR 70 HB3 TYR 70 1.253 4.105 -5.308 532 HD1 TYR 70 HD1 TYR 70 -0.136 2.074 -2.459 533 HD2 TYR 70 HD2 TYR 70 -0.161 5.866 -4.563 534 HE1 TYR 70 HE1 TYR 70 -1.525 3.063 -0.685 535 HE2 TYR 70 HE2 TYR 70 -1.603 6.827 -2.799 536 HH TYR 70 HH TYR 70 -2.628 4.930 0.089 537 H GLU 71 HN GLU 71 0.202 4.061 -7.543 538 HA GLU 71 HA GLU 71 -2.274 5.351 -7.611 539 HB2 GLU 71 HB2 GLU 71 -0.351 4.584 -9.830 540 HB3 GLU 71 HB3 GLU 71 -1.755 5.598 -10.113 541 HG2 GLU 71 HG2 GLU 71 0.284 6.335 -7.987 542 HG3 GLU 71 HG3 GLU 71 0.558 6.705 -9.688 543 H GLY 72 HN GLY 72 -1.296 2.502 -9.568 544 HA2 GLY 72 HA2 GLY 72 -3.767 1.997 -10.812 545 HA3 GLY 72 HA1 GLY 72 -2.428 0.864 -10.611 546 H LEU 73 HN LEU 73 -2.790 1.284 -7.551 547 HA LEU 73 HA LEU 73 -4.339 -1.060 -7.212 548 HB2 LEU 73 HB2 LEU 73 -2.359 0.199 -5.803 549 HB3 LEU 73 HB3 LEU 73 -3.742 0.674 -4.817 550 HG LEU 73 HG LEU 73 -4.278 -1.706 -4.342 551 HD11 LEU 73 HD11 LEU 73 -3.633 -2.869 -6.446 552 HD12 LEU 73 HD12 LEU 73 -2.662 -3.505 -5.135 553 HD13 LEU 73 HD13 LEU 73 -1.959 -2.336 -6.270 554 HD21 LEU 73 HD21 LEU 73 -1.987 -2.204 -3.279 555 HD22 LEU 73 HD22 LEU 73 -2.484 -0.511 -3.055 556 HD23 LEU 73 HD23 LEU 73 -1.268 -0.954 -4.259 557 H MET 74 HN MET 74 -5.356 2.263 -7.198 558 HA MET 74 HA MET 74 -7.419 2.128 -5.277 559 HB2 MET 74 HB2 MET 74 -6.759 4.220 -6.319 560 HB3 MET 74 HB3 MET 74 -7.328 3.675 -7.901 561 HG2 MET 74 HG2 MET 74 -9.616 3.667 -7.192 562 HG3 MET 74 HG3 MET 74 -9.172 3.870 -5.493 563 HE1 MET 74 HE1 MET 74 -7.175 6.214 -5.258 564 HE2 MET 74 HE2 MET 74 -8.320 7.566 -5.104 565 HE3 MET 74 HE3 MET 74 -8.669 6.019 -4.314 566 H ALA 75 HN ALA 75 -7.504 1.203 -8.744 567 HA ALA 75 HA ALA 75 -10.279 0.437 -8.684 568 HB1 ALA 75 HB1 ALA 75 -9.854 -0.435 -10.905 569 HB2 ALA 75 HB2 ALA 75 -9.041 1.121 -10.748 570 HB3 ALA 75 HB3 ALA 75 -8.099 -0.391 -10.651 571 H VAL 76 HN VAL 76 -7.193 -1.380 -8.302 572 HA VAL 76 HA VAL 76 -8.303 -3.994 -8.177 573 HB VAL 76 HB VAL 76 -5.886 -2.886 -6.690 574 HG11 VAL 76 HG11 VAL 76 -6.551 -5.765 -7.454 575 HG12 VAL 76 HG12 VAL 76 -5.042 -5.199 -6.702 576 HG13 VAL 76 HG13 VAL 76 -6.552 -5.113 -5.810 577 HG21 VAL 76 HG21 VAL 76 -4.587 -3.832 -8.645 578 HG22 VAL 76 HG22 VAL 76 -6.139 -4.064 -9.477 579 HG23 VAL 76 HG23 VAL 76 -5.584 -2.435 -9.053 580 H ALA 77 HN ALA 77 -7.563 -1.622 -5.587 581 HA ALA 77 HA ALA 77 -8.195 -3.111 -3.412 582 HB1 ALA 77 HB1 ALA 77 -8.652 -0.132 -3.792 583 HB2 ALA 77 HB2 ALA 77 -8.595 -0.960 -2.239 584 HB3 ALA 77 HB3 ALA 77 -7.139 -0.923 -3.266 585 H LYS 78 HN LYS 78 -10.323 -1.032 -5.358 586 HA LYS 78 HA LYS 78 -12.794 -1.508 -3.937 587 HB2 LYS 78 HB2 LYS 78 -12.033 -0.444 -6.711 588 HB3 LYS 78 HB3 LYS 78 -13.709 -0.766 -6.300 589 HG2 LYS 78 HG2 LYS 78 -13.366 0.713 -4.213 590 HG3 LYS 78 HG3 LYS 78 -11.820 1.182 -4.920 591 HD2 LYS 78 HD2 LYS 78 -13.507 2.847 -5.464 592 HD3 LYS 78 HD3 LYS 78 -12.983 2.027 -6.935 593 HE2 LYS 78 HE2 LYS 78 -15.412 2.411 -6.925 594 HE3 LYS 78 HE3 LYS 78 -15.029 0.690 -7.009 595 HZ1 LYS 78 HZ1 LYS 78 -16.843 1.272 -5.450 596 HZ2 LYS 78 HZ2 LYS 78 -15.764 2.027 -4.476 597 HZ3 LYS 78 HZ3 LYS 78 -15.635 0.421 -4.759 598 H ALA 79 HN ALA 79 -11.456 -3.060 -6.918 599 HA ALA 79 HA ALA 79 -13.668 -4.731 -7.395 600 HB1 ALA 79 HB1 ALA 79 -10.715 -5.327 -7.853 601 HB2 ALA 79 HB2 ALA 79 -12.080 -6.212 -8.553 602 HB3 ALA 79 HB3 ALA 79 -11.812 -4.515 -8.993 603 H GLN 80 HN GLN 80 -10.756 -5.331 -5.334 604 HA GLN 80 HA GLN 80 -11.432 -7.935 -4.539 605 HB2 GLN 80 HB2 GLN 80 -10.016 -5.748 -2.938 606 HB3 GLN 80 HB3 GLN 80 -10.129 -7.459 -2.476 607 HG2 GLN 80 HG2 GLN 80 -9.098 -7.992 -4.775 608 HG3 GLN 80 HG3 GLN 80 -8.649 -6.291 -4.840 609 HE21 GLN 80 HE21 GLN 80 -7.170 -8.994 -4.318 610 HE22 GLN 80 HE22 GLN 80 -6.137 -8.570 -2.955 611 H LEU 81 HN LEU 81 -12.613 -4.833 -3.167 612 HA LEU 81 HA LEU 81 -13.606 -6.140 -0.774 613 HB2 LEU 81 HB2 LEU 81 -14.148 -3.451 -2.146 614 HB3 LEU 81 HB3 LEU 81 -14.880 -3.855 -0.600 615 HG LEU 81 HG LEU 81 -11.884 -4.099 -0.876 616 HD11 LEU 81 HD11 LEU 81 -13.288 -1.500 -0.216 617 HD12 LEU 81 HD12 LEU 81 -12.577 -1.864 -1.811 618 HD13 LEU 81 HD13 LEU 81 -11.548 -1.803 -0.390 619 HD21 LEU 81 HD21 LEU 81 -12.940 -4.900 1.198 620 HD22 LEU 81 HD22 LEU 81 -13.714 -3.322 1.442 621 HD23 LEU 81 HD23 LEU 81 -11.947 -3.474 1.516 622 H MET 82 HN MET 82 -14.998 -5.289 -3.904 623 HA MET 82 HA MET 82 -17.736 -6.084 -3.163 624 HB2 MET 82 HB2 MET 82 -16.345 -5.511 -5.809 625 HB3 MET 82 HB3 MET 82 -18.082 -5.842 -5.651 626 HG2 MET 82 HG2 MET 82 -16.676 -3.637 -4.116 627 HG3 MET 82 HG3 MET 82 -17.349 -3.385 -5.705 628 HE1 MET 82 HE1 MET 82 -18.490 -1.274 -4.219 629 HE2 MET 82 HE2 MET 82 -19.589 -1.587 -2.859 630 HE3 MET 82 HE3 MET 82 -17.863 -1.989 -2.718 631 H ASP 83 HN ASP 83 -14.865 -7.596 -4.621 632 HA ASP 83 HA ASP 83 -16.053 -10.078 -5.375 633 HB2 ASP 83 HB2 ASP 83 -14.014 -9.382 -6.356 634 HB3 ASP 83 HB3 ASP 83 -13.282 -9.012 -4.800 635 H GLU 84 HN GLU 84 -14.541 -8.890 -2.350 636 HA GLU 84 HA GLU 84 -14.933 -11.395 -0.895 637 HB2 GLU 84 HB2 GLU 84 -14.228 -8.570 0.020 638 HB3 GLU 84 HB3 GLU 84 -14.293 -9.984 1.037 639 HG2 GLU 84 HG2 GLU 84 -12.539 -10.899 -0.791 640 HG3 GLU 84 HG3 GLU 84 -12.158 -9.215 -0.850 641 H LEU 85 HN LEU 85 -17.283 -9.236 -1.879 642 HA LEU 85 HA LEU 85 -18.624 -8.767 0.676 643 HB2 LEU 85 HB2 LEU 85 -18.924 -7.167 -1.174 644 HB3 LEU 85 HB3 LEU 85 -19.588 -8.445 -2.175 645 HG LEU 85 HG LEU 85 -21.482 -8.712 -0.524 646 HD11 LEU 85 HD11 LEU 85 -21.842 -6.817 1.086 647 HD12 LEU 85 HD12 LEU 85 -20.167 -6.290 0.757 648 HD13 LEU 85 HD13 LEU 85 -20.496 -7.866 1.503 649 HD21 LEU 85 HD21 LEU 85 -21.799 -7.403 -2.543 650 HD22 LEU 85 HD22 LEU 85 -21.161 -5.960 -1.747 651 HD23 LEU 85 HD23 LEU 85 -22.682 -6.680 -1.192 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -18.834 7.803 4.543 2 HA2 GLY 1 HA2 GLY 1 -19.724 5.855 3.395 3 HA3 GLY 1 HA1 GLY 1 -19.784 7.251 2.307 4 H MET 2 HN MET 2 -18.711 7.029 0.296 5 HA MET 2 HA MET 2 -16.732 4.860 -0.047 6 HB2 MET 2 HB2 MET 2 -17.445 7.142 -1.932 7 HB3 MET 2 HB3 MET 2 -16.364 5.792 -2.250 8 HG2 MET 2 HG2 MET 2 -18.182 5.154 -3.373 9 HG3 MET 2 HG3 MET 2 -18.349 4.239 -1.877 10 HE1 MET 2 HE1 MET 2 -20.153 5.751 -4.542 11 HE2 MET 2 HE2 MET 2 -20.739 4.258 -3.777 12 HE3 MET 2 HE3 MET 2 -21.770 5.704 -3.829 13 H GLN 3 HN GLN 3 -14.721 6.415 -1.448 14 HA GLN 3 HA GLN 3 -12.653 6.833 -0.879 15 HB2 GLN 3 HB2 GLN 3 -13.931 9.125 0.632 16 HB3 GLN 3 HB3 GLN 3 -12.209 8.972 0.339 17 HG2 GLN 3 HG2 GLN 3 -12.944 8.739 -2.208 18 HG3 GLN 3 HG3 GLN 3 -14.400 9.559 -1.645 19 HE21 GLN 3 HE21 GLN 3 -10.825 9.794 -1.812 20 HE22 GLN 3 HE22 GLN 3 -10.737 11.539 -1.733 21 H PHE 4 HN PHE 4 -14.095 4.918 0.898 22 HA PHE 4 HA PHE 4 -12.394 5.091 3.330 23 HB2 PHE 4 HB2 PHE 4 -15.028 5.991 3.215 24 HB3 PHE 4 HB3 PHE 4 -15.097 4.465 4.096 25 HD1 PHE 4 HD1 PHE 4 -13.494 7.787 3.869 26 HD2 PHE 4 HD2 PHE 4 -14.289 4.413 6.427 27 HE1 PHE 4 HE1 PHE 4 -12.474 8.993 5.728 28 HE2 PHE 4 HE2 PHE 4 -13.313 5.654 8.337 29 HZ PHE 4 HZ PHE 4 -12.395 7.938 8.023 30 H LYS 5 HN LYS 5 -14.927 3.161 1.656 31 HA LYS 5 HA LYS 5 -13.925 0.681 2.881 32 HB2 LYS 5 HB2 LYS 5 -15.893 1.400 0.731 33 HB3 LYS 5 HB3 LYS 5 -15.148 -0.197 0.630 34 HG2 LYS 5 HG2 LYS 5 -16.703 0.879 2.995 35 HG3 LYS 5 HG3 LYS 5 -17.231 -0.323 1.828 36 HD2 LYS 5 HD2 LYS 5 -16.551 -1.859 3.322 37 HD3 LYS 5 HD3 LYS 5 -14.909 -1.503 2.772 38 HE2 LYS 5 HE2 LYS 5 -14.877 0.347 4.598 39 HE3 LYS 5 HE3 LYS 5 -16.420 -0.312 5.143 40 HZ1 LYS 5 HZ1 LYS 5 -13.769 -1.595 5.197 41 HZ2 LYS 5 HZ2 LYS 5 -15.139 -2.498 5.331 42 HZ3 LYS 5 HZ3 LYS 5 -14.810 -1.358 6.440 43 H ALA 6 HN ALA 6 -13.257 2.464 -0.107 44 HA ALA 6 HA ALA 6 -11.368 0.532 -1.099 45 HB1 ALA 6 HB1 ALA 6 -12.493 2.212 -2.548 46 HB2 ALA 6 HB2 ALA 6 -11.622 3.517 -1.706 47 HB3 ALA 6 HB3 ALA 6 -10.722 2.319 -2.659 48 H GLU 7 HN GLU 7 -11.104 3.410 1.012 49 HA GLU 7 HA GLU 7 -8.508 4.026 0.648 50 HB2 GLU 7 HB2 GLU 7 -8.732 5.542 2.319 51 HB3 GLU 7 HB3 GLU 7 -10.417 5.153 1.947 52 HG2 GLU 7 HG2 GLU 7 -10.302 5.475 4.212 53 HG3 GLU 7 HG3 GLU 7 -10.611 3.784 3.855 54 H ALA 8 HN ALA 8 -9.600 1.913 3.265 55 HA ALA 8 HA ALA 8 -6.893 1.324 4.088 56 HB1 ALA 8 HB1 ALA 8 -8.664 1.086 5.700 57 HB2 ALA 8 HB2 ALA 8 -9.511 -0.107 4.695 58 HB3 ALA 8 HB3 ALA 8 -7.949 -0.501 5.443 59 H ARG 9 HN ARG 9 -9.207 -0.470 1.979 60 HA ARG 9 HA ARG 9 -7.537 -2.782 1.771 61 HB2 ARG 9 HB2 ARG 9 -9.947 -2.764 1.228 62 HB3 ARG 9 HB3 ARG 9 -9.653 -1.733 -0.166 63 HG2 ARG 9 HG2 ARG 9 -10.054 -4.134 -0.694 64 HG3 ARG 9 HG3 ARG 9 -8.534 -3.520 -1.350 65 HD2 ARG 9 HD2 ARG 9 -7.225 -4.811 0.037 66 HD3 ARG 9 HD3 ARG 9 -8.405 -4.836 1.331 67 HE ARG 9 HE ARG 9 -9.285 -6.303 -1.009 68 HH11 ARG 9 HH11 ARG 9 -7.428 -6.563 1.973 69 HH12 ARG 9 HH12 ARG 9 -7.050 -8.234 1.799 70 HH21 ARG 9 HH21 ARG 9 -9.201 -8.651 -1.051 71 HH22 ARG 9 HH22 ARG 9 -8.287 -9.469 0.120 72 H ARG 10 HN ARG 10 -7.616 0.237 -0.056 73 HA ARG 10 HA ARG 10 -5.757 -0.394 -2.169 74 HB2 ARG 10 HB2 ARG 10 -7.419 1.492 -2.039 75 HB3 ARG 10 HB3 ARG 10 -6.478 2.205 -0.739 76 HG2 ARG 10 HG2 ARG 10 -4.798 1.705 -3.031 77 HG3 ARG 10 HG3 ARG 10 -6.235 2.552 -3.561 78 HD2 ARG 10 HD2 ARG 10 -4.375 3.483 -1.339 79 HD3 ARG 10 HD3 ARG 10 -4.469 4.173 -2.970 80 HE ARG 10 HE ARG 10 -7.023 4.409 -2.191 81 HH11 ARG 10 HH11 ARG 10 -4.034 5.347 -0.442 82 HH12 ARG 10 HH12 ARG 10 -4.766 6.645 0.409 83 HH21 ARG 10 HH21 ARG 10 -8.024 6.076 -0.912 84 HH22 ARG 10 HH22 ARG 10 -7.048 7.045 0.150 85 H ASN 11 HN ASN 11 -5.194 1.313 0.986 86 HA ASN 11 HA ASN 11 -2.377 1.255 0.575 87 HB2 ASN 11 HB2 ASN 11 -4.033 1.601 3.095 88 HB3 ASN 11 HB3 ASN 11 -2.289 1.853 3.007 89 HD21 ASN 11 HD21 ASN 11 -4.290 3.814 3.664 90 HD22 ASN 11 HD22 ASN 11 -4.209 5.116 2.554 91 H LYS 12 HN LYS 12 -4.488 -1.034 2.372 92 HA LYS 12 HA LYS 12 -2.448 -2.663 3.476 93 HB2 LYS 12 HB2 LYS 12 -4.849 -2.766 4.062 94 HB3 LYS 12 HB3 LYS 12 -5.218 -3.477 2.480 95 HG2 LYS 12 HG2 LYS 12 -3.903 -5.473 3.038 96 HG3 LYS 12 HG3 LYS 12 -3.361 -4.718 4.551 97 HD2 LYS 12 HD2 LYS 12 -5.766 -4.628 5.305 98 HD3 LYS 12 HD3 LYS 12 -6.235 -5.459 3.825 99 HE2 LYS 12 HE2 LYS 12 -6.167 -7.004 5.715 100 HE3 LYS 12 HE3 LYS 12 -4.954 -7.451 4.518 101 HZ1 LYS 12 HZ1 LYS 12 -4.252 -5.808 6.866 102 HZ2 LYS 12 HZ2 LYS 12 -3.280 -6.701 5.841 103 HZ3 LYS 12 HZ3 LYS 12 -4.279 -7.447 6.917 104 H LEU 13 HN LEU 13 -4.034 -2.852 0.255 105 HA LEU 13 HA LEU 13 -2.671 -5.127 -0.708 106 HB2 LEU 13 HB2 LEU 13 -3.905 -2.701 -2.039 107 HB3 LEU 13 HB3 LEU 13 -2.925 -3.822 -2.973 108 HG LEU 13 HG LEU 13 -5.415 -4.639 -1.458 109 HD11 LEU 13 HD11 LEU 13 -4.841 -4.301 -4.434 110 HD12 LEU 13 HD12 LEU 13 -5.799 -3.181 -3.440 111 HD13 LEU 13 HD13 LEU 13 -6.369 -4.841 -3.704 112 HD21 LEU 13 HD21 LEU 13 -3.206 -6.090 -2.923 113 HD22 LEU 13 HD22 LEU 13 -4.841 -6.671 -3.132 114 HD23 LEU 13 HD23 LEU 13 -4.157 -6.565 -1.493 115 H MET 14 HN MET 14 -1.621 -1.570 -1.021 116 HA MET 14 HA MET 14 0.703 -2.164 -2.364 117 HB2 MET 14 HB2 MET 14 -0.302 0.090 -1.876 118 HB3 MET 14 HB3 MET 14 0.317 -0.036 -0.224 119 HG2 MET 14 HG2 MET 14 1.864 1.276 -1.538 120 HG3 MET 14 HG3 MET 14 2.635 -0.247 -1.123 121 HE1 MET 14 HE1 MET 14 4.142 0.769 -4.605 122 HE2 MET 14 HE2 MET 14 3.639 1.839 -3.282 123 HE3 MET 14 HE3 MET 14 4.504 0.331 -2.919 124 H GLY 15 HN GLY 15 0.245 -2.012 1.231 125 HA2 GLY 15 HA2 GLY 15 2.923 -2.453 1.908 126 HA3 GLY 15 HA1 GLY 15 1.565 -2.906 2.930 127 H LEU 16 HN LEU 16 0.446 -4.968 1.112 128 HA LEU 16 HA LEU 16 2.065 -7.225 1.775 129 HB2 LEU 16 HB2 LEU 16 -0.188 -6.770 -0.224 130 HB3 LEU 16 HB3 LEU 16 0.605 -8.318 -0.051 131 HG LEU 16 HG LEU 16 -0.768 -6.897 2.250 132 HD11 LEU 16 HD11 LEU 16 -2.618 -8.498 1.868 133 HD12 LEU 16 HD12 LEU 16 -1.780 -9.113 0.432 134 HD13 LEU 16 HD13 LEU 16 -2.373 -7.439 0.475 135 HD21 LEU 16 HD21 LEU 16 0.339 -9.724 1.915 136 HD22 LEU 16 HD22 LEU 16 -0.736 -9.259 3.234 137 HD23 LEU 16 HD23 LEU 16 0.855 -8.507 3.096 138 H TRP 17 HN TRP 17 1.609 -5.480 -1.358 139 HA TRP 17 HA TRP 17 3.386 -7.117 -2.848 140 HB2 TRP 17 HB2 TRP 17 1.833 -5.605 -3.927 141 HB3 TRP 17 HB3 TRP 17 2.578 -4.204 -3.165 142 HD1 TRP 17 HD1 TRP 17 3.594 -7.009 -5.640 143 HE1 TRP 17 HE1 TRP 17 5.523 -6.194 -7.080 144 HE3 TRP 17 HE3 TRP 17 4.293 -2.397 -3.534 145 HZ2 TRP 17 HZ2 TRP 17 7.147 -3.790 -7.357 146 HZ3 TRP 17 HZ3 TRP 17 5.972 -0.839 -4.482 147 HH2 TRP 17 HH2 TRP 17 7.412 -1.537 -6.398 148 H VAL 18 HN VAL 18 4.050 -4.122 -0.966 149 HA VAL 18 HA VAL 18 6.816 -3.947 -1.627 150 HB VAL 18 HB VAL 18 5.474 -3.199 0.970 151 HG11 VAL 18 HG11 VAL 18 7.247 -1.463 1.163 152 HG12 VAL 18 HG12 VAL 18 7.897 -3.090 1.195 153 HG13 VAL 18 HG13 VAL 18 8.022 -2.124 -0.286 154 HG21 VAL 18 HG21 VAL 18 4.438 -2.140 -1.188 155 HG22 VAL 18 HG22 VAL 18 4.812 -1.135 0.215 156 HG23 VAL 18 HG23 VAL 18 5.875 -1.185 -1.199 157 H ALA 19 HN ALA 19 5.201 -5.557 1.181 158 HA ALA 19 HA ALA 19 7.444 -6.752 2.387 159 HB1 ALA 19 HB1 ALA 19 5.820 -8.295 3.335 160 HB2 ALA 19 HB2 ALA 19 5.192 -6.639 3.361 161 HB3 ALA 19 HB3 ALA 19 4.603 -7.812 2.163 162 H GLU 20 HN GLU 20 5.506 -8.017 -0.297 163 HA GLU 20 HA GLU 20 6.871 -10.506 -0.581 164 HB2 GLU 20 HB2 GLU 20 4.762 -10.275 -1.428 165 HB3 GLU 20 HB3 GLU 20 5.074 -8.755 -2.238 166 HG2 GLU 20 HG2 GLU 20 6.297 -9.892 -4.021 167 HG3 GLU 20 HG3 GLU 20 6.124 -11.443 -3.167 168 H VAL 21 HN VAL 21 7.423 -7.296 -2.099 169 HA VAL 21 HA VAL 21 9.678 -8.102 -3.681 170 HB VAL 21 HB VAL 21 8.603 -5.434 -2.681 171 HG11 VAL 21 HG11 VAL 21 10.068 -4.287 -4.282 172 HG12 VAL 21 HG12 VAL 21 10.994 -5.049 -2.997 173 HG13 VAL 21 HG13 VAL 21 10.933 -5.819 -4.599 174 HG21 VAL 21 HG21 VAL 21 7.273 -6.643 -4.419 175 HG22 VAL 21 HG22 VAL 21 7.926 -5.106 -4.980 176 HG23 VAL 21 HG23 VAL 21 8.694 -6.637 -5.479 177 H LEU 22 HN LEU 22 9.422 -6.972 -0.226 178 HA LEU 22 HA LEU 22 12.280 -6.853 0.032 179 HB2 LEU 22 HB2 LEU 22 9.930 -6.624 1.876 180 HB3 LEU 22 HB3 LEU 22 11.467 -7.128 2.577 181 HG LEU 22 HG LEU 22 12.612 -5.174 1.604 182 HD11 LEU 22 HD11 LEU 22 11.155 -4.673 -0.325 183 HD12 LEU 22 HD12 LEU 22 11.315 -3.268 0.746 184 HD13 LEU 22 HD13 LEU 22 9.840 -4.245 0.782 185 HD21 LEU 22 HD21 LEU 22 10.173 -4.503 3.293 186 HD22 LEU 22 HD22 LEU 22 11.549 -3.432 3.057 187 HD23 LEU 22 HD23 LEU 22 11.774 -4.980 3.893 188 H GLY 23 HN GLY 23 10.050 -9.590 -0.008 189 HA2 GLY 23 HA2 GLY 23 10.745 -11.843 0.080 190 HA3 GLY 23 HA1 GLY 23 12.294 -11.377 0.781 191 H LYS 24 HN LYS 24 9.328 -10.004 2.058 192 HA LYS 24 HA LYS 24 9.577 -11.398 4.661 193 HB2 LYS 24 HB2 LYS 24 7.519 -9.539 3.430 194 HB3 LYS 24 HB3 LYS 24 7.347 -10.247 5.028 195 HG2 LYS 24 HG2 LYS 24 9.493 -9.205 5.719 196 HG3 LYS 24 HG3 LYS 24 9.625 -8.408 4.144 197 HD2 LYS 24 HD2 LYS 24 7.689 -7.069 4.567 198 HD3 LYS 24 HD3 LYS 24 7.181 -8.054 5.916 199 HE2 LYS 24 HE2 LYS 24 8.131 -5.965 6.727 200 HE3 LYS 24 HE3 LYS 24 9.084 -7.340 7.265 201 HZ1 LYS 24 HZ1 LYS 24 9.825 -5.779 4.887 202 HZ2 LYS 24 HZ2 LYS 24 10.768 -6.825 5.803 203 HZ3 LYS 24 HZ3 LYS 24 10.303 -5.362 6.395 204 H SER 25 HN SER 25 7.785 -12.790 5.439 205 HA SER 25 HA SER 25 5.837 -13.687 3.502 206 HB2 SER 25 HB2 SER 25 6.560 -16.144 4.126 207 HB3 SER 25 HB3 SER 25 7.369 -15.285 2.812 208 HG SER 25 HG SER 25 8.615 -16.443 4.613 209 H GLY 26 HN GLY 26 4.381 -15.342 4.694 210 HA2 GLY 26 HA2 GLY 26 2.848 -15.625 6.360 211 HA3 GLY 26 HA1 GLY 26 4.259 -15.768 7.426 212 H ASP 27 HN ASP 27 3.989 -14.503 9.198 213 HA ASP 27 HA ASP 27 2.084 -12.341 9.092 214 HB2 ASP 27 HB2 ASP 27 3.580 -13.766 11.231 215 HB3 ASP 27 HB3 ASP 27 3.200 -12.096 11.563 216 H GLU 28 HN GLU 28 5.581 -12.410 8.667 217 HA GLU 28 HA GLU 28 6.101 -9.776 9.524 218 HB2 GLU 28 HB2 GLU 28 7.346 -11.784 7.697 219 HB3 GLU 28 HB3 GLU 28 7.566 -10.144 7.204 220 HG2 GLU 28 HG2 GLU 28 8.330 -9.857 9.750 221 HG3 GLU 28 HG3 GLU 28 8.712 -11.567 9.554 222 H ALA 29 HN ALA 29 4.930 -11.126 6.410 223 HA ALA 29 HA ALA 29 4.690 -8.583 5.092 224 HB1 ALA 29 HB1 ALA 29 4.831 -10.743 3.860 225 HB2 ALA 29 HB2 ALA 29 3.257 -11.222 4.532 226 HB3 ALA 29 HB3 ALA 29 3.363 -9.845 3.418 227 H ASN 30 HN ASN 30 2.647 -10.265 7.297 228 HA ASN 30 HA ASN 30 0.160 -8.881 6.549 229 HB2 ASN 30 HB2 ASN 30 0.784 -10.587 9.002 230 HB3 ASN 30 HB3 ASN 30 -0.777 -9.892 8.608 231 HD21 ASN 30 HD21 ASN 30 0.202 -12.853 8.823 232 HD22 ASN 30 HD22 ASN 30 -0.219 -13.529 7.277 233 H ALA 31 HN ALA 31 2.606 -8.724 9.170 234 HA ALA 31 HA ALA 31 1.407 -6.564 10.611 235 HB1 ALA 31 HB1 ALA 31 4.290 -7.564 10.506 236 HB2 ALA 31 HB2 ALA 31 3.618 -6.457 11.721 237 HB3 ALA 31 HB3 ALA 31 3.028 -8.128 11.622 238 H TYR 32 HN TYR 32 3.867 -6.771 8.014 239 HA TYR 32 HA TYR 32 4.501 -3.987 7.982 240 HB2 TYR 32 HB2 TYR 32 5.851 -5.801 6.961 241 HB3 TYR 32 HB3 TYR 32 4.619 -6.014 5.717 242 HD1 TYR 32 HD1 TYR 32 4.166 -4.029 4.137 243 HD2 TYR 32 HD2 TYR 32 7.522 -4.009 6.877 244 HE1 TYR 32 HE1 TYR 32 5.165 -2.149 2.930 245 HE2 TYR 32 HE2 TYR 32 8.436 -2.123 5.777 246 HH TYR 32 HH TYR 32 8.066 -0.472 4.338 247 H ALA 33 HN ALA 33 2.028 -5.920 6.223 248 HA ALA 33 HA ALA 33 0.873 -3.655 4.899 249 HB1 ALA 33 HB1 ALA 33 0.677 -5.978 4.101 250 HB2 ALA 33 HB2 ALA 33 -0.307 -6.372 5.527 251 HB3 ALA 33 HB3 ALA 33 -0.902 -5.204 4.314 252 H ALA 34 HN ALA 34 1.077 -3.896 8.122 253 HA ALA 34 HA ALA 34 -1.463 -2.397 8.483 254 HB1 ALA 34 HB1 ALA 34 -1.328 -4.334 9.997 255 HB2 ALA 34 HB2 ALA 34 0.195 -3.695 10.658 256 HB3 ALA 34 HB3 ALA 34 -1.302 -2.775 10.860 257 H GLU 35 HN GLU 35 2.133 -2.418 9.016 258 HA GLU 35 HA GLU 35 2.494 0.154 10.030 259 HB2 GLU 35 HB2 GLU 35 4.124 -1.433 7.975 260 HB3 GLU 35 HB3 GLU 35 4.659 0.099 8.670 261 HG2 GLU 35 HG2 GLU 35 4.777 -0.782 10.849 262 HG3 GLU 35 HG3 GLU 35 3.860 -2.223 10.445 263 H VAL 36 HN VAL 36 2.231 -0.779 6.574 264 HA VAL 36 HA VAL 36 2.341 1.871 5.545 265 HB VAL 36 HB VAL 36 1.306 -0.779 4.446 266 HG11 VAL 36 HG11 VAL 36 1.855 1.782 2.909 267 HG12 VAL 36 HG12 VAL 36 1.609 0.184 2.175 268 HG13 VAL 36 HG13 VAL 36 0.290 0.947 3.055 269 HG21 VAL 36 HG21 VAL 36 3.707 -0.773 4.977 270 HG22 VAL 36 HG22 VAL 36 3.497 -0.701 3.224 271 HG23 VAL 36 HG23 VAL 36 3.924 0.763 4.114 272 H VAL 37 HN VAL 37 -0.257 0.298 7.143 273 HA VAL 37 HA VAL 37 -2.422 1.941 5.939 274 HB VAL 37 HB VAL 37 -2.314 -0.469 7.781 275 HG11 VAL 37 HG11 VAL 37 -4.318 0.663 8.395 276 HG12 VAL 37 HG12 VAL 37 -4.785 0.908 6.697 277 HG13 VAL 37 HG13 VAL 37 -4.741 -0.729 7.430 278 HG21 VAL 37 HG21 VAL 37 -3.128 -0.145 4.870 279 HG22 VAL 37 HG22 VAL 37 -1.689 -0.985 5.490 280 HG23 VAL 37 HG23 VAL 37 -3.296 -1.655 5.806 281 H LYS 38 HN LYS 38 -0.206 1.985 8.478 282 HA LYS 38 HA LYS 38 -1.831 3.836 10.131 283 HB2 LYS 38 HB2 LYS 38 -0.965 2.161 11.498 284 HB3 LYS 38 HB3 LYS 38 0.504 1.955 10.550 285 HG2 LYS 38 HG2 LYS 38 1.356 4.028 11.270 286 HG3 LYS 38 HG3 LYS 38 -0.087 4.361 12.286 287 HD2 LYS 38 HD2 LYS 38 1.154 3.426 13.950 288 HD3 LYS 38 HD3 LYS 38 0.635 1.887 13.224 289 HE2 LYS 38 HE2 LYS 38 2.737 2.053 11.740 290 HE3 LYS 38 HE3 LYS 38 3.199 3.436 12.739 291 HZ1 LYS 38 HZ1 LYS 38 2.944 0.635 13.594 292 HZ2 LYS 38 HZ2 LYS 38 2.921 1.868 14.664 293 HZ3 LYS 38 HZ3 LYS 38 4.250 1.655 13.720 294 H ALA 39 HN ALA 39 0.685 3.801 7.683 295 HA ALA 39 HA ALA 39 1.270 6.615 8.438 296 HB1 ALA 39 HB1 ALA 39 3.260 5.147 8.412 297 HB2 ALA 39 HB2 ALA 39 2.903 4.684 6.726 298 HB3 ALA 39 HB3 ALA 39 3.353 6.346 7.099 299 H ASP 40 HN ASP 40 -1.132 6.187 7.187 300 HA ASP 40 HA ASP 40 -0.758 7.676 4.656 301 HB2 ASP 40 HB2 ASP 40 -2.029 6.255 3.537 302 HB3 ASP 40 HB3 ASP 40 -1.894 5.125 4.869 303 H PHE 41 HN PHE 41 -1.693 7.880 7.818 304 HA PHE 41 HA PHE 41 -3.250 10.319 7.237 305 HB2 PHE 41 HB2 PHE 41 -4.718 9.797 9.163 306 HB3 PHE 41 HB3 PHE 41 -4.958 8.876 7.698 307 HD1 PHE 41 HD1 PHE 41 -2.240 8.017 10.144 308 HD2 PHE 41 HD2 PHE 41 -6.171 7.080 8.651 309 HE1 PHE 41 HE1 PHE 41 -2.137 5.907 11.298 310 HE2 PHE 41 HE2 PHE 41 -6.090 4.904 9.848 311 HZ PHE 41 HZ PHE 41 -4.083 4.271 11.162 312 H GLU 42 HN GLU 42 -0.485 9.889 7.819 313 HA GLU 42 HA GLU 42 -0.084 10.872 10.593 314 HB2 GLU 42 HB2 GLU 42 1.790 10.034 8.349 315 HB3 GLU 42 HB3 GLU 42 2.385 10.831 9.813 316 HG2 GLU 42 HG2 GLU 42 0.649 8.364 10.056 317 HG3 GLU 42 HG3 GLU 42 2.371 8.236 9.671 318 H GLU 43 HN GLU 43 1.677 12.054 7.733 319 HA GLU 43 HA GLU 43 0.952 14.838 8.557 320 HB2 GLU 43 HB2 GLU 43 3.296 13.959 6.825 321 HB3 GLU 43 HB3 GLU 43 3.191 15.412 7.798 322 HG2 GLU 43 HG2 GLU 43 3.368 12.563 8.780 323 HG3 GLU 43 HG3 GLU 43 4.753 13.623 8.604 324 H ALA 44 HN ALA 44 0.143 12.838 6.470 325 HA ALA 44 HA ALA 44 -1.397 14.528 4.721 326 HB1 ALA 44 HB1 ALA 44 1.159 13.417 3.490 327 HB2 ALA 44 HB2 ALA 44 -0.209 13.979 2.503 328 HB3 ALA 44 HB3 ALA 44 0.657 15.123 3.522 329 H GLY 45 HN GLY 45 -2.458 13.287 2.949 330 HA2 GLY 45 HA2 GLY 45 -3.408 10.747 3.655 331 HA3 GLY 45 HA1 GLY 45 -3.656 11.606 2.140 332 H HIS 46 HN HIS 46 -1.740 11.514 0.519 333 HA HIS 46 HA HIS 46 -0.280 8.929 0.738 334 HB2 HIS 46 HB2 HIS 46 -0.752 8.413 -1.562 335 HB3 HIS 46 HB3 HIS 46 -2.164 8.315 -0.511 336 HD1 HIS 46 HD1 HIS 46 -1.020 11.596 -2.333 337 HD2 HIS 46 HD2 HIS 46 -3.978 8.583 -2.345 338 HE1 HIS 46 HE1 HIS 46 -2.814 12.385 -3.916 339 H GLU 47 HN GLU 47 1.086 10.846 1.500 340 HA GLU 47 HA GLU 47 2.762 11.690 -0.798 341 HB2 GLU 47 HB2 GLU 47 1.084 13.435 0.026 342 HB3 GLU 47 HB3 GLU 47 2.040 13.504 1.510 343 HG2 GLU 47 HG2 GLU 47 3.844 14.525 0.501 344 HG3 GLU 47 HG3 GLU 47 3.445 13.860 -1.106 345 H ASP 48 HN ASP 48 2.526 11.428 2.828 346 HA ASP 48 HA ASP 48 5.372 10.915 3.100 347 HB2 ASP 48 HB2 ASP 48 3.894 11.708 5.006 348 HB3 ASP 48 HB3 ASP 48 3.172 10.088 5.032 349 H VAL 49 HN VAL 49 2.432 8.931 2.663 350 HA VAL 49 HA VAL 49 3.314 6.364 2.999 351 HB VAL 49 HB VAL 49 1.670 7.506 0.685 352 HG11 VAL 49 HG11 VAL 49 2.033 4.592 1.452 353 HG12 VAL 49 HG12 VAL 49 0.753 5.202 0.364 354 HG13 VAL 49 HG13 VAL 49 2.448 5.339 -0.107 355 HG21 VAL 49 HG21 VAL 49 0.689 7.687 3.009 356 HG22 VAL 49 HG22 VAL 49 -0.298 6.728 1.890 357 HG23 VAL 49 HG23 VAL 49 0.707 5.940 3.112 358 H MET 50 HN MET 50 4.232 8.518 0.287 359 HA MET 50 HA MET 50 5.563 6.429 -1.236 360 HB2 MET 50 HB2 MET 50 5.914 9.430 -1.449 361 HB3 MET 50 HB3 MET 50 6.417 8.212 -2.625 362 HG2 MET 50 HG2 MET 50 3.496 8.699 -1.904 363 HG3 MET 50 HG3 MET 50 4.395 9.538 -3.147 364 HE1 MET 50 HE1 MET 50 2.413 6.300 -2.356 365 HE2 MET 50 HE2 MET 50 2.940 5.228 -3.680 366 HE3 MET 50 HE3 MET 50 4.050 5.590 -2.347 367 H ARG 51 HN ARG 51 6.846 9.157 0.916 368 HA ARG 51 HA ARG 51 9.533 8.214 0.616 369 HB2 ARG 51 HB2 ARG 51 8.060 10.066 2.539 370 HB3 ARG 51 HB3 ARG 51 9.745 9.639 2.747 371 HG2 ARG 51 HG2 ARG 51 10.010 10.334 0.211 372 HG3 ARG 51 HG3 ARG 51 8.482 11.188 0.464 373 HD2 ARG 51 HD2 ARG 51 11.054 11.516 2.060 374 HD3 ARG 51 HD3 ARG 51 10.498 12.617 0.796 375 HE ARG 51 HE ARG 51 8.392 12.849 2.310 376 HH11 ARG 51 HH11 ARG 51 11.662 12.382 3.698 377 HH12 ARG 51 HH12 ARG 51 11.196 13.042 5.230 378 HH21 ARG 51 HH21 ARG 51 7.884 13.761 4.162 379 HH22 ARG 51 HH22 ARG 51 8.951 13.829 5.524 380 H LYS 52 HN LYS 52 6.959 7.481 2.934 381 HA LYS 52 HA LYS 52 8.349 5.929 4.781 382 HB2 LYS 52 HB2 LYS 52 5.979 6.708 4.933 383 HB3 LYS 52 HB3 LYS 52 5.495 5.536 3.722 384 HG2 LYS 52 HG2 LYS 52 6.924 4.644 6.230 385 HG3 LYS 52 HG3 LYS 52 5.237 5.065 6.317 386 HD2 LYS 52 HD2 LYS 52 4.479 3.251 5.163 387 HD3 LYS 52 HD3 LYS 52 5.858 3.173 4.092 388 HE2 LYS 52 HE2 LYS 52 5.716 2.110 6.953 389 HE3 LYS 52 HE3 LYS 52 5.884 1.180 5.459 390 HZ1 LYS 52 HZ1 LYS 52 8.042 2.489 5.157 391 HZ2 LYS 52 HZ2 LYS 52 7.973 1.308 6.283 392 HZ3 LYS 52 HZ3 LYS 52 7.916 2.843 6.766 393 H VAL 53 HN VAL 53 6.996 4.930 1.569 394 HA VAL 53 HA VAL 53 7.888 2.189 2.077 395 HB VAL 53 HB VAL 53 5.718 2.955 0.914 396 HG11 VAL 53 HG11 VAL 53 6.547 4.435 -0.840 397 HG12 VAL 53 HG12 VAL 53 7.582 3.167 -1.492 398 HG13 VAL 53 HG13 VAL 53 5.814 3.024 -1.575 399 HG21 VAL 53 HG21 VAL 53 7.452 0.786 -0.281 400 HG22 VAL 53 HG22 VAL 53 6.387 0.668 1.141 401 HG23 VAL 53 HG23 VAL 53 5.691 0.957 -0.463 402 H LEU 54 HN LEU 54 8.920 4.964 0.066 403 HA LEU 54 HA LEU 54 10.850 3.503 -1.433 404 HB2 LEU 54 HB2 LEU 54 10.310 6.449 -0.893 405 HB3 LEU 54 HB3 LEU 54 11.810 5.975 -1.624 406 HG LEU 54 HG LEU 54 10.551 6.559 -3.399 407 HD11 LEU 54 HD11 LEU 54 10.403 4.683 -4.803 408 HD12 LEU 54 HD12 LEU 54 10.081 3.579 -3.464 409 HD13 LEU 54 HD13 LEU 54 11.685 4.334 -3.650 410 HD21 LEU 54 HD21 LEU 54 8.127 5.064 -2.498 411 HD22 LEU 54 HD22 LEU 54 8.334 5.835 -4.074 412 HD23 LEU 54 HD23 LEU 54 8.343 6.825 -2.623 413 H GLY 55 HN GLY 55 11.127 5.249 1.693 414 HA2 GLY 55 HA2 GLY 55 13.962 4.904 1.967 415 HA3 GLY 55 HA1 GLY 55 12.794 5.091 3.292 416 H ASP 56 HN ASP 56 11.167 2.893 3.018 417 HA ASP 56 HA ASP 56 12.594 0.866 4.336 418 HB2 ASP 56 HB2 ASP 56 9.870 1.116 3.092 419 HB3 ASP 56 HB3 ASP 56 10.444 -0.502 3.456 420 H LEU 57 HN LEU 57 11.683 1.114 0.888 421 HA LEU 57 HA LEU 57 12.543 -1.497 0.097 422 HB2 LEU 57 HB2 LEU 57 12.210 1.155 -1.335 423 HB3 LEU 57 HB3 LEU 57 12.963 -0.188 -2.175 424 HG LEU 57 HG LEU 57 10.185 -0.349 -0.967 425 HD11 LEU 57 HD11 LEU 57 9.971 1.216 -2.730 426 HD12 LEU 57 HD12 LEU 57 9.837 -0.290 -3.700 427 HD13 LEU 57 HD13 LEU 57 11.340 0.564 -3.634 428 HD21 LEU 57 HD21 LEU 57 11.430 -2.560 -1.407 429 HD22 LEU 57 HD22 LEU 57 11.341 -2.155 -3.120 430 HD23 LEU 57 HD23 LEU 57 9.851 -2.361 -2.149 431 H ASP 58 HN ASP 58 14.431 1.353 0.871 432 HA ASP 58 HA ASP 58 16.639 1.704 0.999 433 HB2 ASP 58 HB2 ASP 58 16.597 -0.683 1.907 434 HB3 ASP 58 HB3 ASP 58 17.125 -1.219 0.321 435 H GLY 59 HN GLY 59 15.170 0.979 -1.792 436 HA2 GLY 59 HA2 GLY 59 15.992 1.906 -3.956 437 HA3 GLY 59 HA1 GLY 59 17.586 1.299 -3.541 438 H LYS 60 HN LYS 60 15.074 -0.972 -2.611 439 HA LYS 60 HA LYS 60 16.001 -2.993 -4.222 440 HB2 LYS 60 HB2 LYS 60 13.704 -2.521 -2.494 441 HB3 LYS 60 HB3 LYS 60 13.481 -3.792 -3.652 442 HG2 LYS 60 HG2 LYS 60 15.575 -4.857 -2.878 443 HG3 LYS 60 HG3 LYS 60 15.732 -3.647 -1.598 444 HD2 LYS 60 HD2 LYS 60 13.614 -4.422 -0.598 445 HD3 LYS 60 HD3 LYS 60 13.323 -5.476 -1.992 446 HE2 LYS 60 HE2 LYS 60 14.138 -7.013 -0.471 447 HE3 LYS 60 HE3 LYS 60 15.577 -6.611 -1.399 448 HZ1 LYS 60 HZ1 LYS 60 15.998 -6.638 0.953 449 HZ2 LYS 60 HZ2 LYS 60 14.902 -5.450 1.259 450 HZ3 LYS 60 HZ3 LYS 60 16.268 -5.151 0.404 451 H ARG 61 HN ARG 61 13.572 -0.571 -5.129 452 HA ARG 61 HA ARG 61 13.356 -1.751 -7.768 453 HB2 ARG 61 HB2 ARG 61 10.912 -1.349 -5.963 454 HB3 ARG 61 HB3 ARG 61 10.787 -1.475 -7.709 455 HG2 ARG 61 HG2 ARG 61 11.823 -3.671 -5.872 456 HG3 ARG 61 HG3 ARG 61 10.212 -3.563 -6.591 457 HD2 ARG 61 HD2 ARG 61 11.257 -3.620 -8.859 458 HD3 ARG 61 HD3 ARG 61 12.829 -3.929 -8.109 459 HE ARG 61 HE ARG 61 11.316 -5.866 -6.995 460 HH11 ARG 61 HH11 ARG 61 11.742 -4.919 -10.403 461 HH12 ARG 61 HH12 ARG 61 11.385 -6.488 -11.030 462 HH21 ARG 61 HH21 ARG 61 10.653 -7.948 -7.871 463 HH22 ARG 61 HH22 ARG 61 11.023 -8.282 -9.517 464 HA PRO 62 HA PRO 62 13.507 2.520 -8.669 465 HB2 PRO 62 HB2 PRO 62 11.941 2.695 -11.003 466 HB3 PRO 62 HB3 PRO 62 13.648 2.230 -10.933 467 HG2 PRO 62 HG2 PRO 62 11.218 0.497 -11.160 468 HG3 PRO 62 HG3 PRO 62 12.848 0.220 -11.851 469 HD2 PRO 62 HD2 PRO 62 11.899 -1.089 -9.645 470 HD3 PRO 62 HD3 PRO 62 13.623 -0.707 -9.902 471 H GLU 63 HN GLU 63 12.448 4.407 -8.278 472 HA GLU 63 HA GLU 63 10.101 4.433 -6.835 473 HB2 GLU 63 HB2 GLU 63 11.742 6.332 -7.004 474 HB3 GLU 63 HB3 GLU 63 11.134 6.651 -8.635 475 HG2 GLU 63 HG2 GLU 63 8.785 6.873 -7.512 476 HG3 GLU 63 HG3 GLU 63 9.622 6.810 -5.974 477 H ALA 64 HN ALA 64 10.407 4.851 -10.428 478 HA ALA 64 HA ALA 64 7.671 5.519 -10.716 479 HB1 ALA 64 HB1 ALA 64 8.025 4.869 -13.129 480 HB2 ALA 64 HB2 ALA 64 9.307 5.922 -12.506 481 HB3 ALA 64 HB3 ALA 64 9.596 4.175 -12.694 482 H GLU 65 HN GLU 65 9.180 2.217 -10.459 483 HA GLU 65 HA GLU 65 6.842 0.780 -11.244 484 HB2 GLU 65 HB2 GLU 65 9.112 -0.173 -11.013 485 HB3 GLU 65 HB3 GLU 65 9.020 0.013 -9.244 486 HG2 GLU 65 HG2 GLU 65 7.095 -1.483 -9.153 487 HG3 GLU 65 HG3 GLU 65 6.995 -1.487 -10.921 488 H VAL 66 HN VAL 66 8.019 2.056 -8.142 489 HA VAL 66 HA VAL 66 5.902 1.011 -6.545 490 HB VAL 66 HB VAL 66 7.682 3.405 -5.922 491 HG11 VAL 66 HG11 VAL 66 6.597 1.273 -4.034 492 HG12 VAL 66 HG12 VAL 66 7.440 2.780 -3.640 493 HG13 VAL 66 HG13 VAL 66 5.797 2.818 -4.286 494 HG21 VAL 66 HG21 VAL 66 9.294 1.861 -4.945 495 HG22 VAL 66 HG22 VAL 66 8.319 0.454 -5.444 496 HG23 VAL 66 HG23 VAL 66 9.125 1.474 -6.633 497 H ARG 67 HN ARG 67 6.287 4.248 -8.214 498 HA ARG 67 HA ARG 67 3.876 5.387 -7.218 499 HB2 ARG 67 HB2 ARG 67 4.940 5.659 -10.094 500 HB3 ARG 67 HB3 ARG 67 3.843 6.744 -9.261 501 HG2 ARG 67 HG2 ARG 67 6.805 6.358 -8.766 502 HG3 ARG 67 HG3 ARG 67 5.981 7.685 -9.496 503 HD2 ARG 67 HD2 ARG 67 4.709 7.804 -7.141 504 HD3 ARG 67 HD3 ARG 67 6.086 6.779 -6.660 505 HE ARG 67 HE ARG 67 7.551 8.550 -6.806 506 HH11 ARG 67 HH11 ARG 67 4.269 9.783 -7.574 507 HH12 ARG 67 HH12 ARG 67 4.853 11.391 -7.783 508 HH21 ARG 67 HH21 ARG 67 8.222 10.560 -6.979 509 HH22 ARG 67 HH22 ARG 67 7.203 11.887 -7.440 510 H ALA 68 HN ALA 68 4.434 3.713 -10.281 511 HA ALA 68 HA ALA 68 1.778 3.655 -11.146 512 HB1 ALA 68 HB1 ALA 68 3.661 3.027 -12.620 513 HB2 ALA 68 HB2 ALA 68 3.904 1.525 -11.690 514 HB3 ALA 68 HB3 ALA 68 2.417 1.773 -12.630 515 H LYS 69 HN LYS 69 3.454 1.114 -9.218 516 HA LYS 69 HA LYS 69 1.360 -0.711 -9.042 517 HB2 LYS 69 HB2 LYS 69 3.745 -0.955 -8.096 518 HB3 LYS 69 HB3 LYS 69 3.198 -0.010 -6.711 519 HG2 LYS 69 HG2 LYS 69 2.849 -2.193 -5.976 520 HG3 LYS 69 HG3 LYS 69 1.254 -1.804 -6.576 521 HD2 LYS 69 HD2 LYS 69 2.162 -2.820 -8.864 522 HD3 LYS 69 HD3 LYS 69 3.445 -3.464 -7.862 523 HE2 LYS 69 HE2 LYS 69 1.984 -5.230 -7.763 524 HE3 LYS 69 HE3 LYS 69 1.464 -4.324 -6.343 525 HZ1 LYS 69 HZ1 LYS 69 -0.428 -4.968 -7.691 526 HZ2 LYS 69 HZ2 LYS 69 0.245 -4.324 -9.046 527 HZ3 LYS 69 HZ3 LYS 69 -0.283 -3.323 -7.907 528 H TYR 70 HN TYR 70 2.060 2.059 -6.867 529 HA TYR 70 HA TYR 70 -0.186 1.625 -5.191 530 HB2 TYR 70 HB2 TYR 70 1.937 2.814 -4.600 531 HB3 TYR 70 HB3 TYR 70 1.459 4.142 -5.637 532 HD1 TYR 70 HD1 TYR 70 0.096 2.064 -2.728 533 HD2 TYR 70 HD2 TYR 70 0.296 5.958 -4.673 534 HE1 TYR 70 HE1 TYR 70 -1.213 3.049 -0.928 535 HE2 TYR 70 HE2 TYR 70 -1.141 6.876 -2.922 536 HH TYR 70 HH TYR 70 -2.132 4.895 -0.057 537 H GLU 71 HN GLU 71 0.328 4.150 -7.775 538 HA GLU 71 HA GLU 71 -2.317 5.193 -7.360 539 HB2 GLU 71 HB2 GLU 71 -0.522 5.540 -9.786 540 HB3 GLU 71 HB3 GLU 71 -1.923 6.528 -9.345 541 HG2 GLU 71 HG2 GLU 71 -0.566 6.853 -7.066 542 HG3 GLU 71 HG3 GLU 71 0.817 6.437 -8.092 543 H GLY 72 HN GLY 72 -1.181 2.471 -9.252 544 HA2 GLY 72 HA2 GLY 72 -3.592 2.236 -10.909 545 HA3 GLY 72 HA1 GLY 72 -2.214 1.133 -10.797 546 H LEU 73 HN LEU 73 -3.014 1.626 -7.599 547 HA LEU 73 HA LEU 73 -4.232 -0.978 -7.522 548 HB2 LEU 73 HB2 LEU 73 -2.521 0.433 -5.875 549 HB3 LEU 73 HB3 LEU 73 -4.026 0.644 -5.014 550 HG LEU 73 HG LEU 73 -4.199 -1.718 -4.570 551 HD11 LEU 73 HD11 LEU 73 -3.530 -2.749 -6.727 552 HD12 LEU 73 HD12 LEU 73 -2.490 -3.364 -5.454 553 HD13 LEU 73 HD13 LEU 73 -1.891 -2.101 -6.555 554 HD21 LEU 73 HD21 LEU 73 -1.251 -0.766 -4.520 555 HD22 LEU 73 HD22 LEU 73 -1.860 -2.091 -3.566 556 HD23 LEU 73 HD23 LEU 73 -2.464 -0.443 -3.278 557 H MET 74 HN MET 74 -5.535 2.249 -7.546 558 HA MET 74 HA MET 74 -7.538 1.929 -5.616 559 HB2 MET 74 HB2 MET 74 -6.951 4.077 -6.703 560 HB3 MET 74 HB3 MET 74 -7.805 3.565 -8.175 561 HG2 MET 74 HG2 MET 74 -9.900 3.371 -6.942 562 HG3 MET 74 HG3 MET 74 -9.091 3.658 -5.416 563 HE1 MET 74 HE1 MET 74 -8.327 7.499 -5.561 564 HE2 MET 74 HE2 MET 74 -7.948 5.933 -4.801 565 HE3 MET 74 HE3 MET 74 -7.224 6.364 -6.363 566 H ALA 75 HN ALA 75 -7.676 1.016 -9.100 567 HA ALA 75 HA ALA 75 -10.422 0.119 -8.866 568 HB1 ALA 75 HB1 ALA 75 -8.388 -0.648 -10.992 569 HB2 ALA 75 HB2 ALA 75 -10.147 -0.804 -11.087 570 HB3 ALA 75 HB3 ALA 75 -9.413 0.809 -11.050 571 H VAL 76 HN VAL 76 -7.206 -1.407 -8.382 572 HA VAL 76 HA VAL 76 -8.131 -4.134 -8.393 573 HB VAL 76 HB VAL 76 -5.779 -2.899 -6.901 574 HG11 VAL 76 HG11 VAL 76 -6.313 -5.217 -6.171 575 HG12 VAL 76 HG12 VAL 76 -6.153 -5.770 -7.840 576 HG13 VAL 76 HG13 VAL 76 -4.749 -5.112 -6.989 577 HG21 VAL 76 HG21 VAL 76 -5.875 -3.962 -9.744 578 HG22 VAL 76 HG22 VAL 76 -5.529 -2.299 -9.242 579 HG23 VAL 76 HG23 VAL 76 -4.386 -3.589 -8.855 580 H ALA 77 HN ALA 77 -7.470 -1.756 -5.836 581 HA ALA 77 HA ALA 77 -8.086 -3.143 -3.583 582 HB1 ALA 77 HB1 ALA 77 -8.622 -0.188 -4.127 583 HB2 ALA 77 HB2 ALA 77 -8.433 -0.948 -2.539 584 HB3 ALA 77 HB3 ALA 77 -7.066 -0.909 -3.688 585 H LYS 78 HN LYS 78 -10.277 -1.118 -5.566 586 HA LYS 78 HA LYS 78 -12.646 -1.623 -3.977 587 HB2 LYS 78 HB2 LYS 78 -12.221 -0.628 -6.838 588 HB3 LYS 78 HB3 LYS 78 -13.814 -0.853 -6.115 589 HG2 LYS 78 HG2 LYS 78 -13.254 0.760 -4.310 590 HG3 LYS 78 HG3 LYS 78 -11.656 1.009 -5.036 591 HD2 LYS 78 HD2 LYS 78 -13.083 2.812 -5.765 592 HD3 LYS 78 HD3 LYS 78 -12.789 1.757 -7.156 593 HE2 LYS 78 HE2 LYS 78 -15.016 0.604 -6.607 594 HE3 LYS 78 HE3 LYS 78 -15.283 1.860 -5.387 595 HZ1 LYS 78 HZ1 LYS 78 -15.035 3.459 -7.272 596 HZ2 LYS 78 HZ2 LYS 78 -16.355 2.450 -7.387 597 HZ3 LYS 78 HZ3 LYS 78 -15.006 2.183 -8.304 598 H ALA 79 HN ALA 79 -11.322 -3.186 -6.947 599 HA ALA 79 HA ALA 79 -13.586 -4.851 -7.383 600 HB1 ALA 79 HB1 ALA 79 -11.767 -4.588 -9.054 601 HB2 ALA 79 HB2 ALA 79 -10.646 -5.441 -7.969 602 HB3 ALA 79 HB3 ALA 79 -12.053 -6.286 -8.641 603 H GLN 80 HN GLN 80 -10.541 -5.440 -5.505 604 HA GLN 80 HA GLN 80 -11.284 -7.964 -4.534 605 HB2 GLN 80 HB2 GLN 80 -9.587 -5.847 -3.144 606 HB3 GLN 80 HB3 GLN 80 -9.773 -7.527 -2.637 607 HG2 GLN 80 HG2 GLN 80 -8.913 -8.148 -5.010 608 HG3 GLN 80 HG3 GLN 80 -8.360 -6.483 -5.098 609 HE21 GLN 80 HE21 GLN 80 -6.801 -9.115 -4.910 610 HE22 GLN 80 HE22 GLN 80 -5.712 -8.813 -3.582 611 H LEU 81 HN LEU 81 -11.996 -4.788 -3.012 612 HA LEU 81 HA LEU 81 -13.100 -5.867 -0.616 613 HB2 LEU 81 HB2 LEU 81 -13.145 -3.795 0.033 614 HB3 LEU 81 HB3 LEU 81 -12.254 -3.453 -1.406 615 HG LEU 81 HG LEU 81 -14.603 -3.020 -2.473 616 HD11 LEU 81 HD11 LEU 81 -16.271 -2.176 -0.808 617 HD12 LEU 81 HD12 LEU 81 -15.188 -2.713 0.515 618 HD13 LEU 81 HD13 LEU 81 -15.938 -3.888 -0.537 619 HD21 LEU 81 HD21 LEU 81 -14.461 -0.670 -1.670 620 HD22 LEU 81 HD22 LEU 81 -12.838 -1.313 -1.983 621 HD23 LEU 81 HD23 LEU 81 -13.412 -1.232 -0.335 622 H MET 82 HN MET 82 -14.581 -5.107 -3.703 623 HA MET 82 HA MET 82 -17.288 -5.763 -2.786 624 HB2 MET 82 HB2 MET 82 -16.061 -5.302 -5.544 625 HB3 MET 82 HB3 MET 82 -17.778 -5.616 -5.258 626 HG2 MET 82 HG2 MET 82 -17.794 -3.665 -3.638 627 HG3 MET 82 HG3 MET 82 -16.162 -3.278 -4.164 628 HE1 MET 82 HE1 MET 82 -15.505 -2.411 -6.529 629 HE2 MET 82 HE2 MET 82 -16.268 -3.803 -7.329 630 HE3 MET 82 HE3 MET 82 -16.649 -2.154 -7.865 631 H ASP 83 HN ASP 83 -14.604 -7.467 -4.359 632 HA ASP 83 HA ASP 83 -15.910 -9.926 -4.966 633 HB2 ASP 83 HB2 ASP 83 -13.390 -8.934 -5.349 634 HB3 ASP 83 HB3 ASP 83 -13.069 -9.980 -3.997 635 H GLU 84 HN GLU 84 -14.192 -8.719 -2.081 636 HA GLU 84 HA GLU 84 -14.396 -11.172 -0.587 637 HB2 GLU 84 HB2 GLU 84 -13.819 -8.315 0.314 638 HB3 GLU 84 HB3 GLU 84 -13.544 -9.733 1.303 639 HG2 GLU 84 HG2 GLU 84 -12.206 -9.990 -1.276 640 HG3 GLU 84 HG3 GLU 84 -11.750 -8.485 -0.469 641 H LEU 85 HN LEU 85 -16.872 -8.977 -1.204 642 HA LEU 85 HA LEU 85 -18.119 -9.297 1.492 643 HB2 LEU 85 HB2 LEU 85 -18.351 -7.229 -0.620 644 HB3 LEU 85 HB3 LEU 85 -19.911 -7.801 -0.045 645 HG LEU 85 HG LEU 85 -17.735 -6.798 1.815 646 HD11 LEU 85 HD11 LEU 85 -18.555 -5.006 0.331 647 HD12 LEU 85 HD12 LEU 85 -19.124 -4.751 1.995 648 HD13 LEU 85 HD13 LEU 85 -20.230 -5.409 0.778 649 HD21 LEU 85 HD21 LEU 85 -19.657 -6.659 3.451 650 HD22 LEU 85 HD22 LEU 85 -19.322 -8.317 2.956 651 HD23 LEU 85 HD23 LEU 85 -20.693 -7.447 2.254 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -20.864 5.765 5.055 2 HA2 GLY 1 HA2 GLY 1 -20.342 7.060 2.984 3 HA3 GLY 1 HA1 GLY 1 -18.914 6.604 3.947 4 H MET 2 HN MET 2 -17.819 6.912 1.814 5 HA MET 2 HA MET 2 -17.267 4.349 0.645 6 HB2 MET 2 HB2 MET 2 -19.082 5.381 -0.818 7 HB3 MET 2 HB3 MET 2 -17.934 6.671 -1.207 8 HG2 MET 2 HG2 MET 2 -16.512 5.164 -2.377 9 HG3 MET 2 HG3 MET 2 -17.270 3.753 -1.632 10 HE1 MET 2 HE1 MET 2 -19.077 6.196 -5.138 11 HE2 MET 2 HE2 MET 2 -18.671 6.931 -3.570 12 HE3 MET 2 HE3 MET 2 -17.379 6.316 -4.629 13 H GLN 3 HN GLN 3 -15.287 5.279 -1.138 14 HA GLN 3 HA GLN 3 -13.297 6.199 -1.374 15 HB2 GLN 3 HB2 GLN 3 -14.541 8.352 -0.397 16 HB3 GLN 3 HB3 GLN 3 -13.498 8.022 0.984 17 HG2 GLN 3 HG2 GLN 3 -12.262 9.536 -0.301 18 HG3 GLN 3 HG3 GLN 3 -11.549 7.983 -0.721 19 HE21 GLN 3 HE21 GLN 3 -10.893 8.314 -2.792 20 HE22 GLN 3 HE22 GLN 3 -11.818 8.988 -4.092 21 H PHE 4 HN PHE 4 -14.090 5.633 1.863 22 HA PHE 4 HA PHE 4 -11.701 5.289 3.307 23 HB2 PHE 4 HB2 PHE 4 -14.570 5.300 3.763 24 HB3 PHE 4 HB3 PHE 4 -13.848 3.988 4.659 25 HD1 PHE 4 HD2 PHE 4 -12.715 7.517 3.799 26 HD2 PHE 4 HD1 PHE 4 -13.551 4.618 6.896 27 HE1 PHE 4 HE2 PHE 4 -12.082 9.147 5.510 28 HE2 PHE 4 HE1 PHE 4 -12.888 6.275 8.609 29 HZ PHE 4 HZ PHE 4 -12.162 8.554 7.931 30 H LYS 5 HN LYS 5 -14.243 3.095 2.149 31 HA LYS 5 HA LYS 5 -13.004 0.719 3.172 32 HB2 LYS 5 HB2 LYS 5 -15.360 1.348 1.370 33 HB3 LYS 5 HB3 LYS 5 -14.783 -0.318 1.501 34 HG2 LYS 5 HG2 LYS 5 -15.361 1.365 3.970 35 HG3 LYS 5 HG3 LYS 5 -16.603 0.412 3.146 36 HD2 LYS 5 HD2 LYS 5 -15.681 -1.635 3.628 37 HD3 LYS 5 HD3 LYS 5 -14.081 -0.975 3.846 38 HE2 LYS 5 HE2 LYS 5 -14.315 -0.888 6.009 39 HE3 LYS 5 HE3 LYS 5 -15.592 0.322 5.825 40 HZ1 LYS 5 HZ1 LYS 5 -15.990 -2.632 5.708 41 HZ2 LYS 5 HZ2 LYS 5 -17.185 -1.533 5.696 42 HZ3 LYS 5 HZ3 LYS 5 -16.274 -1.771 7.059 43 H ALA 6 HN ALA 6 -12.971 2.429 0.062 44 HA ALA 6 HA ALA 6 -11.053 0.624 -1.156 45 HB1 ALA 6 HB1 ALA 6 -12.466 2.067 -2.543 46 HB2 ALA 6 HB2 ALA 6 -11.735 3.522 -1.810 47 HB3 ALA 6 HB3 ALA 6 -10.743 2.426 -2.790 48 H GLU 7 HN GLU 7 -10.808 3.763 0.819 49 HA GLU 7 HA GLU 7 -8.061 4.136 0.344 50 HB2 GLU 7 HB2 GLU 7 -9.902 4.821 2.605 51 HB3 GLU 7 HB3 GLU 7 -8.200 5.001 2.901 52 HG2 GLU 7 HG2 GLU 7 -7.910 6.682 1.308 53 HG3 GLU 7 HG3 GLU 7 -9.377 6.262 0.439 54 H ALA 8 HN ALA 8 -9.371 2.446 3.240 55 HA ALA 8 HA ALA 8 -6.874 1.616 4.233 56 HB1 ALA 8 HB1 ALA 8 -9.551 0.147 4.460 57 HB2 ALA 8 HB2 ALA 8 -8.143 -0.064 5.526 58 HB3 ALA 8 HB3 ALA 8 -9.019 1.479 5.501 59 H ARG 9 HN ARG 9 -8.988 -0.064 1.889 60 HA ARG 9 HA ARG 9 -7.347 -2.418 1.876 61 HB2 ARG 9 HB2 ARG 9 -9.777 -2.380 1.271 62 HB3 ARG 9 HB3 ARG 9 -9.373 -1.567 -0.234 63 HG2 ARG 9 HG2 ARG 9 -9.771 -3.999 -0.478 64 HG3 ARG 9 HG3 ARG 9 -8.161 -3.543 -1.023 65 HD2 ARG 9 HD2 ARG 9 -7.111 -4.547 0.857 66 HD3 ARG 9 HD3 ARG 9 -8.581 -4.549 1.805 67 HE ARG 9 HE ARG 9 -7.803 -6.460 -0.318 68 HH11 ARG 9 HH11 ARG 9 -10.168 -5.688 2.294 69 HH12 ARG 9 HH12 ARG 9 -10.825 -7.248 2.217 70 HH21 ARG 9 HH21 ARG 9 -8.829 -8.543 -0.317 71 HH22 ARG 9 HH22 ARG 9 -10.386 -8.664 0.369 72 H ARG 10 HN ARG 10 -7.385 0.529 -0.191 73 HA ARG 10 HA ARG 10 -5.502 -0.310 -2.186 74 HB2 ARG 10 HB2 ARG 10 -6.909 1.722 -2.333 75 HB3 ARG 10 HB3 ARG 10 -6.094 2.422 -0.950 76 HG2 ARG 10 HG2 ARG 10 -4.166 1.703 -3.039 77 HG3 ARG 10 HG3 ARG 10 -5.452 2.709 -3.697 78 HD2 ARG 10 HD2 ARG 10 -3.983 3.480 -1.141 79 HD3 ARG 10 HD3 ARG 10 -3.380 3.861 -2.757 80 HE ARG 10 HE ARG 10 -5.203 5.220 -3.244 81 HH11 ARG 10 HH11 ARG 10 -4.672 4.772 0.323 82 HH12 ARG 10 HH12 ARG 10 -5.121 6.410 0.617 83 HH21 ARG 10 HH21 ARG 10 -5.699 7.301 -2.734 84 HH22 ARG 10 HH22 ARG 10 -5.682 7.875 -1.124 85 H ASN 11 HN ASN 11 -5.011 1.349 0.923 86 HA ASN 11 HA ASN 11 -2.236 1.355 0.927 87 HB2 ASN 11 HB2 ASN 11 -4.147 1.158 3.287 88 HB3 ASN 11 HB3 ASN 11 -2.442 1.620 3.335 89 HD21 ASN 11 HD21 ASN 11 -3.206 3.706 4.303 90 HD22 ASN 11 HD22 ASN 11 -3.700 4.917 3.185 91 H LYS 12 HN LYS 12 -4.388 -1.104 2.501 92 HA LYS 12 HA LYS 12 -2.359 -2.818 3.406 93 HB2 LYS 12 HB2 LYS 12 -4.756 -2.995 4.037 94 HB3 LYS 12 HB3 LYS 12 -5.149 -3.597 2.423 95 HG2 LYS 12 HG2 LYS 12 -3.672 -5.570 2.806 96 HG3 LYS 12 HG3 LYS 12 -3.260 -4.948 4.395 97 HD2 LYS 12 HD2 LYS 12 -5.980 -5.031 4.630 98 HD3 LYS 12 HD3 LYS 12 -5.729 -6.301 3.427 99 HE2 LYS 12 HE2 LYS 12 -3.778 -6.960 5.215 100 HE3 LYS 12 HE3 LYS 12 -4.884 -6.154 6.314 101 HZ1 LYS 12 HZ1 LYS 12 -5.445 -8.498 4.616 102 HZ2 LYS 12 HZ2 LYS 12 -6.608 -7.754 5.522 103 HZ3 LYS 12 HZ3 LYS 12 -5.324 -8.495 6.242 104 H LEU 13 HN LEU 13 -4.076 -2.908 0.267 105 HA LEU 13 HA LEU 13 -2.733 -5.211 -0.727 106 HB2 LEU 13 HB2 LEU 13 -4.010 -2.895 -2.235 107 HB3 LEU 13 HB3 LEU 13 -3.404 -4.381 -2.969 108 HG LEU 13 HG LEU 13 -5.855 -4.056 -1.227 109 HD11 LEU 13 HD11 LEU 13 -5.353 -5.310 -3.936 110 HD12 LEU 13 HD12 LEU 13 -5.927 -3.648 -3.691 111 HD13 LEU 13 HD13 LEU 13 -6.926 -5.025 -3.166 112 HD21 LEU 13 HD21 LEU 13 -6.153 -6.452 -1.235 113 HD22 LEU 13 HD22 LEU 13 -4.752 -6.006 -0.289 114 HD23 LEU 13 HD23 LEU 13 -4.533 -6.675 -1.929 115 H MET 14 HN MET 14 -1.711 -1.740 -0.786 116 HA MET 14 HA MET 14 0.417 -2.174 -2.571 117 HB2 MET 14 HB2 MET 14 -0.447 0.071 -1.564 118 HB3 MET 14 HB3 MET 14 0.622 -0.285 -0.197 119 HG2 MET 14 HG2 MET 14 2.409 -0.774 -2.086 120 HG3 MET 14 HG3 MET 14 1.304 0.143 -3.102 121 HE1 MET 14 HE1 MET 14 4.089 2.554 -3.003 122 HE2 MET 14 HE2 MET 14 4.436 0.827 -2.741 123 HE3 MET 14 HE3 MET 14 3.178 1.309 -3.894 124 H GLY 15 HN GLY 15 0.299 -2.366 1.011 125 HA2 GLY 15 HA2 GLY 15 2.974 -3.025 1.485 126 HA3 GLY 15 HA1 GLY 15 1.615 -3.502 2.502 127 H LEU 16 HN LEU 16 0.323 -5.235 0.426 128 HA LEU 16 HA LEU 16 1.740 -7.654 0.914 129 HB2 LEU 16 HB2 LEU 16 -0.479 -6.864 -0.996 130 HB3 LEU 16 HB3 LEU 16 0.170 -8.488 -0.985 131 HG LEU 16 HG LEU 16 -0.876 -7.171 1.538 132 HD11 LEU 16 HD11 LEU 16 -2.399 -9.016 -0.337 133 HD12 LEU 16 HD12 LEU 16 -2.644 -7.263 -0.219 134 HD13 LEU 16 HD13 LEU 16 -2.993 -8.275 1.168 135 HD21 LEU 16 HD21 LEU 16 -0.413 -10.101 0.772 136 HD22 LEU 16 HD22 LEU 16 -1.117 -9.565 2.299 137 HD23 LEU 16 HD23 LEU 16 0.550 -9.166 1.935 138 H TRP 17 HN TRP 17 1.784 -5.470 -1.943 139 HA TRP 17 HA TRP 17 3.556 -7.209 -3.503 140 HB2 TRP 17 HB2 TRP 17 2.246 -5.508 -4.664 141 HB3 TRP 17 HB3 TRP 17 2.892 -4.231 -3.646 142 HD1 TRP 17 HD1 TRP 17 4.271 -6.803 -6.193 143 HE1 TRP 17 HE1 TRP 17 6.211 -5.800 -7.468 144 HE3 TRP 17 HE3 TRP 17 4.421 -2.223 -3.921 145 HZ2 TRP 17 HZ2 TRP 17 7.534 -3.239 -7.674 146 HZ3 TRP 17 HZ3 TRP 17 5.953 -0.473 -4.777 147 HH2 TRP 17 HH2 TRP 17 7.555 -0.994 -6.642 148 H VAL 18 HN VAL 18 4.026 -4.229 -1.529 149 HA VAL 18 HA VAL 18 6.780 -4.073 -1.857 150 HB VAL 18 HB VAL 18 5.170 -3.340 0.598 151 HG11 VAL 18 HG11 VAL 18 6.961 -1.596 0.886 152 HG12 VAL 18 HG12 VAL 18 7.577 -3.233 1.072 153 HG13 VAL 18 HG13 VAL 18 7.863 -2.344 -0.435 154 HG21 VAL 18 HG21 VAL 18 5.861 -1.441 -1.647 155 HG22 VAL 18 HG22 VAL 18 4.293 -2.219 -1.504 156 HG23 VAL 18 HG23 VAL 18 4.854 -1.141 -0.221 157 H ALA 19 HN ALA 19 5.041 -5.844 0.752 158 HA ALA 19 HA ALA 19 7.270 -6.830 2.136 159 HB1 ALA 19 HB1 ALA 19 4.513 -8.022 1.658 160 HB2 ALA 19 HB2 ALA 19 5.689 -8.668 2.804 161 HB3 ALA 19 HB3 ALA 19 5.080 -7.021 3.030 162 H GLU 20 HN GLU 20 5.676 -8.245 -0.817 163 HA GLU 20 HA GLU 20 7.443 -10.522 -0.900 164 HB2 GLU 20 HB2 GLU 20 5.404 -10.684 -2.119 165 HB3 GLU 20 HB3 GLU 20 5.681 -9.162 -2.982 166 HG2 GLU 20 HG2 GLU 20 7.574 -10.080 -4.167 167 HG3 GLU 20 HG3 GLU 20 7.463 -11.612 -3.267 168 H VAL 21 HN VAL 21 7.632 -7.186 -2.274 169 HA VAL 21 HA VAL 21 10.055 -7.655 -3.733 170 HB VAL 21 HB VAL 21 9.020 -5.033 -2.550 171 HG11 VAL 21 HG11 VAL 21 11.023 -5.537 -4.790 172 HG12 VAL 21 HG12 VAL 21 10.368 -3.952 -4.281 173 HG13 VAL 21 HG13 VAL 21 11.392 -4.866 -3.183 174 HG21 VAL 21 HG21 VAL 21 8.463 -6.463 -5.172 175 HG22 VAL 21 HG22 VAL 21 7.324 -5.771 -4.023 176 HG23 VAL 21 HG23 VAL 21 8.297 -4.697 -4.999 177 H LEU 22 HN LEU 22 9.468 -6.925 -0.312 178 HA LEU 22 HA LEU 22 12.291 -6.630 0.370 179 HB2 LEU 22 HB2 LEU 22 9.789 -7.047 2.051 180 HB3 LEU 22 HB3 LEU 22 11.392 -6.789 2.727 181 HG LEU 22 HG LEU 22 10.069 -4.769 0.869 182 HD11 LEU 22 HD11 LEU 22 9.491 -3.491 2.877 183 HD12 LEU 22 HD12 LEU 22 10.109 -4.789 3.911 184 HD13 LEU 22 HD13 LEU 22 8.671 -5.057 2.886 185 HD21 LEU 22 HD21 LEU 22 11.687 -3.218 1.808 186 HD22 LEU 22 HD22 LEU 22 12.539 -4.587 1.101 187 HD23 LEU 22 HD23 LEU 22 12.357 -4.475 2.855 188 H GLY 23 HN GLY 23 10.431 -9.415 -0.431 189 HA2 GLY 23 HA2 GLY 23 10.974 -11.650 -0.243 190 HA3 GLY 23 HA1 GLY 23 12.467 -11.233 0.606 191 H LYS 24 HN LYS 24 9.506 -9.852 1.824 192 HA LYS 24 HA LYS 24 9.577 -11.470 4.294 193 HB2 LYS 24 HB2 LYS 24 7.681 -9.349 3.237 194 HB3 LYS 24 HB3 LYS 24 7.436 -10.178 4.762 195 HG2 LYS 24 HG2 LYS 24 9.553 -9.304 5.626 196 HG3 LYS 24 HG3 LYS 24 9.915 -8.529 4.077 197 HD2 LYS 24 HD2 LYS 24 7.970 -7.074 4.257 198 HD3 LYS 24 HD3 LYS 24 7.471 -7.836 5.763 199 HE2 LYS 24 HE2 LYS 24 10.239 -6.610 5.468 200 HE3 LYS 24 HE3 LYS 24 8.846 -5.590 5.824 201 HZ1 LYS 24 HZ1 LYS 24 9.630 -7.882 7.529 202 HZ2 LYS 24 HZ2 LYS 24 8.493 -6.759 7.854 203 HZ3 LYS 24 HZ3 LYS 24 10.055 -6.298 7.785 204 H SER 25 HN SER 25 7.639 -12.781 4.878 205 HA SER 25 HA SER 25 5.793 -13.492 2.795 206 HB2 SER 25 HB2 SER 25 8.121 -14.875 2.564 207 HB3 SER 25 HB3 SER 25 7.327 -15.907 3.750 208 HG SER 25 HG SER 25 7.079 -15.925 1.209 209 H GLY 26 HN GLY 26 4.837 -15.799 3.847 210 HA2 GLY 26 HA2 GLY 26 3.308 -16.505 5.464 211 HA3 GLY 26 HA1 GLY 26 4.659 -16.189 6.576 212 H ASP 27 HN ASP 27 3.828 -15.098 8.322 213 HA ASP 27 HA ASP 27 1.663 -13.150 7.893 214 HB2 ASP 27 HB2 ASP 27 2.862 -14.504 10.283 215 HB3 ASP 27 HB3 ASP 27 2.174 -12.919 10.512 216 H GLU 28 HN GLU 28 5.185 -13.022 8.238 217 HA GLU 28 HA GLU 28 5.402 -10.363 8.982 218 HB2 GLU 28 HB2 GLU 28 7.063 -12.386 7.600 219 HB3 GLU 28 HB3 GLU 28 7.270 -10.801 6.880 220 HG2 GLU 28 HG2 GLU 28 7.442 -10.006 9.339 221 HG3 GLU 28 HG3 GLU 28 7.829 -11.690 9.695 222 H ALA 29 HN ALA 29 4.637 -11.789 5.827 223 HA ALA 29 HA ALA 29 4.416 -9.272 4.436 224 HB1 ALA 29 HB1 ALA 29 4.907 -11.360 3.241 225 HB2 ALA 29 HB2 ALA 29 3.330 -12.026 3.722 226 HB3 ALA 29 HB3 ALA 29 3.419 -10.632 2.630 227 H ASN 30 HN ASN 30 2.414 -10.510 6.812 228 HA ASN 30 HA ASN 30 -0.021 -9.122 5.760 229 HB2 ASN 30 HB2 ASN 30 0.386 -11.086 8.065 230 HB3 ASN 30 HB3 ASN 30 -1.074 -10.130 7.858 231 HD21 ASN 30 HD21 ASN 30 -0.398 -13.236 7.554 232 HD22 ASN 30 HD22 ASN 30 -1.184 -13.541 6.008 233 H ALA 31 HN ALA 31 2.266 -9.335 8.467 234 HA ALA 31 HA ALA 31 1.244 -7.306 10.133 235 HB1 ALA 31 HB1 ALA 31 2.880 -8.982 10.869 236 HB2 ALA 31 HB2 ALA 31 4.093 -8.338 9.747 237 HB3 ALA 31 HB3 ALA 31 3.544 -7.345 11.099 238 H TYR 32 HN TYR 32 3.746 -7.187 7.562 239 HA TYR 32 HA TYR 32 4.504 -4.499 7.861 240 HB2 TYR 32 HB2 TYR 32 5.756 -6.194 6.576 241 HB3 TYR 32 HB3 TYR 32 4.478 -6.271 5.393 242 HD1 TYR 32 HD1 TYR 32 7.306 -4.243 6.711 243 HD2 TYR 32 HD2 TYR 32 4.138 -4.391 3.789 244 HE1 TYR 32 HE1 TYR 32 8.365 -2.373 5.480 245 HE2 TYR 32 HE2 TYR 32 5.152 -2.506 2.601 246 HH TYR 32 HH TYR 32 8.141 -1.252 2.880 247 H ALA 33 HN ALA 33 1.819 -5.912 5.947 248 HA ALA 33 HA ALA 33 1.155 -3.578 4.528 249 HB1 ALA 33 HB1 ALA 33 -1.032 -4.610 4.156 250 HB2 ALA 33 HB2 ALA 33 0.226 -5.821 3.970 251 HB3 ALA 33 HB3 ALA 33 -0.741 -5.783 5.460 252 H ALA 34 HN ALA 34 0.308 -4.475 7.855 253 HA ALA 34 HA ALA 34 -1.817 -2.464 8.047 254 HB1 ALA 34 HB1 ALA 34 -1.688 -2.907 10.473 255 HB2 ALA 34 HB2 ALA 34 -1.860 -4.389 9.525 256 HB3 ALA 34 HB3 ALA 34 -0.271 -3.943 10.200 257 H GLU 35 HN GLU 35 1.711 -2.568 8.764 258 HA GLU 35 HA GLU 35 1.898 -0.015 10.009 259 HB2 GLU 35 HB2 GLU 35 3.840 -1.537 8.318 260 HB3 GLU 35 HB3 GLU 35 4.254 -0.077 9.221 261 HG2 GLU 35 HG2 GLU 35 3.353 -2.746 10.358 262 HG3 GLU 35 HG3 GLU 35 4.966 -2.078 10.236 263 H VAL 36 HN VAL 36 2.003 -1.028 6.552 264 HA VAL 36 HA VAL 36 2.498 1.546 5.435 265 HB VAL 36 HB VAL 36 1.034 -0.888 4.317 266 HG11 VAL 36 HG11 VAL 36 1.922 1.624 2.860 267 HG12 VAL 36 HG12 VAL 36 1.422 0.105 2.070 268 HG13 VAL 36 HG13 VAL 36 0.262 1.010 3.035 269 HG21 VAL 36 HG21 VAL 36 3.847 0.174 3.826 270 HG22 VAL 36 HG22 VAL 36 3.416 -1.282 4.747 271 HG23 VAL 36 HG23 VAL 36 3.102 -1.219 3.018 272 H VAL 37 HN VAL 37 -0.636 -0.122 6.178 273 HA VAL 37 HA VAL 37 -2.273 2.058 5.365 274 HB VAL 37 HB VAL 37 -2.819 -0.049 7.494 275 HG11 VAL 37 HG11 VAL 37 -5.226 0.243 6.891 276 HG12 VAL 37 HG12 VAL 37 -4.515 1.695 7.603 277 HG13 VAL 37 HG13 VAL 37 -4.768 1.623 5.855 278 HG21 VAL 37 HG21 VAL 37 -3.140 -1.624 5.939 279 HG22 VAL 37 HG22 VAL 37 -4.077 -0.548 4.883 280 HG23 VAL 37 HG23 VAL 37 -2.316 -0.574 4.790 281 H LYS 38 HN LYS 38 -0.468 1.557 8.386 282 HA LYS 38 HA LYS 38 -1.810 3.703 9.792 283 HB2 LYS 38 HB2 LYS 38 -1.252 1.781 11.068 284 HB3 LYS 38 HB3 LYS 38 0.270 1.548 10.226 285 HG2 LYS 38 HG2 LYS 38 1.274 3.357 11.231 286 HG3 LYS 38 HG3 LYS 38 -0.216 3.820 12.132 287 HD2 LYS 38 HD2 LYS 38 1.001 1.039 12.384 288 HD3 LYS 38 HD3 LYS 38 1.769 2.370 13.242 289 HE2 LYS 38 HE2 LYS 38 -1.220 1.868 13.515 290 HE3 LYS 38 HE3 LYS 38 -0.036 0.925 14.464 291 HZ1 LYS 38 HZ1 LYS 38 -0.143 3.871 14.476 292 HZ2 LYS 38 HZ2 LYS 38 0.793 2.906 15.419 293 HZ3 LYS 38 HZ3 LYS 38 -0.850 2.931 15.599 294 H ALA 39 HN ALA 39 0.570 3.601 7.316 295 HA ALA 39 HA ALA 39 1.782 6.105 8.335 296 HB1 ALA 39 HB1 ALA 39 3.695 5.567 6.945 297 HB2 ALA 39 HB2 ALA 39 3.368 4.198 8.032 298 HB3 ALA 39 HB3 ALA 39 2.869 4.114 6.318 299 H ASP 40 HN ASP 40 -0.782 5.584 6.862 300 HA ASP 40 HA ASP 40 -0.513 7.512 4.647 301 HB2 ASP 40 HB2 ASP 40 -2.200 5.549 4.790 302 HB3 ASP 40 HB3 ASP 40 -3.038 6.513 5.975 303 H PHE 41 HN PHE 41 -2.695 9.125 5.538 304 HA PHE 41 HA PHE 41 -3.381 10.738 6.897 305 HB2 PHE 41 HB2 PHE 41 -1.783 9.945 9.271 306 HB3 PHE 41 HB3 PHE 41 -3.434 10.451 9.163 307 HD1 PHE 41 HD1 PHE 41 -5.024 8.487 7.873 308 HD2 PHE 41 HD2 PHE 41 -1.310 7.832 9.966 309 HE1 PHE 41 HE1 PHE 41 -5.701 6.165 8.421 310 HE2 PHE 41 HE2 PHE 41 -2.042 5.650 10.655 311 HZ PHE 41 HZ PHE 41 -4.205 4.732 9.886 312 H GLU 42 HN GLU 42 -2.441 12.323 8.716 313 HA GLU 42 HA GLU 42 -1.286 14.086 9.277 314 HB2 GLU 42 HB2 GLU 42 1.157 12.519 8.453 315 HB3 GLU 42 HB3 GLU 42 1.129 14.058 9.332 316 HG2 GLU 42 HG2 GLU 42 -0.515 12.836 10.988 317 HG3 GLU 42 HG3 GLU 42 0.153 11.349 10.274 318 H GLU 43 HN GLU 43 0.330 13.202 6.238 319 HA GLU 43 HA GLU 43 0.016 15.986 5.231 320 HB2 GLU 43 HB2 GLU 43 1.784 13.642 4.423 321 HB3 GLU 43 HB3 GLU 43 1.555 15.055 3.380 322 HG2 GLU 43 HG2 GLU 43 2.306 16.564 5.114 323 HG3 GLU 43 HG3 GLU 43 2.491 15.242 6.270 324 H ALA 44 HN ALA 44 -0.139 15.335 2.507 325 HA ALA 44 HA ALA 44 -2.922 14.808 2.091 326 HB1 ALA 44 HB1 ALA 44 -0.567 14.661 0.149 327 HB2 ALA 44 HB2 ALA 44 -2.280 14.781 -0.278 328 HB3 ALA 44 HB3 ALA 44 -1.477 16.130 0.553 329 H GLY 45 HN GLY 45 -3.782 12.986 0.836 330 HA2 GLY 45 HA2 GLY 45 -3.495 10.627 2.180 331 HA3 GLY 45 HA1 GLY 45 -4.368 10.848 0.663 332 H HIS 46 HN HIS 46 -1.113 11.485 0.024 333 HA HIS 46 HA HIS 46 -0.204 8.748 0.013 334 HB2 HIS 46 HB2 HIS 46 0.227 8.629 -2.425 335 HB3 HIS 46 HB3 HIS 46 -1.470 8.635 -1.966 336 HD1 HIS 46 HD1 HIS 46 0.447 12.059 -2.721 337 HD2 HIS 46 HD2 HIS 46 -2.533 9.342 -3.990 338 HE1 HIS 46 HE1 HIS 46 -0.705 13.138 -4.628 339 H GLU 47 HN GLU 47 0.570 11.804 0.707 340 HA GLU 47 HA GLU 47 2.917 12.150 -0.956 341 HB2 GLU 47 HB2 GLU 47 1.396 13.785 0.920 342 HB3 GLU 47 HB3 GLU 47 3.106 13.871 1.312 343 HG2 GLU 47 HG2 GLU 47 2.579 15.641 -0.217 344 HG3 GLU 47 HG3 GLU 47 3.655 14.496 -1.011 345 H ASP 48 HN ASP 48 2.759 11.782 2.655 346 HA ASP 48 HA ASP 48 5.538 11.026 2.551 347 HB2 ASP 48 HB2 ASP 48 4.199 12.341 4.401 348 HB3 ASP 48 HB3 ASP 48 3.925 10.726 5.082 349 H VAL 49 HN VAL 49 2.671 9.223 2.275 350 HA VAL 49 HA VAL 49 3.395 6.627 3.134 351 HB VAL 49 HB VAL 49 1.833 7.647 0.714 352 HG11 VAL 49 HG11 VAL 49 2.550 5.395 0.105 353 HG12 VAL 49 HG12 VAL 49 2.046 4.774 1.692 354 HG13 VAL 49 HG13 VAL 49 0.838 5.378 0.543 355 HG21 VAL 49 HG21 VAL 49 -0.147 7.068 1.999 356 HG22 VAL 49 HG22 VAL 49 0.835 6.304 3.266 357 HG23 VAL 49 HG23 VAL 49 0.896 8.057 3.021 358 H MET 50 HN MET 50 4.393 8.529 0.240 359 HA MET 50 HA MET 50 5.856 6.326 -0.928 360 HB2 MET 50 HB2 MET 50 6.263 9.290 -1.391 361 HB3 MET 50 HB3 MET 50 6.939 7.929 -2.325 362 HG2 MET 50 HG2 MET 50 3.968 8.346 -2.101 363 HG3 MET 50 HG3 MET 50 4.958 9.127 -3.322 364 HE1 MET 50 HE1 MET 50 4.487 5.314 -1.945 365 HE2 MET 50 HE2 MET 50 2.977 6.193 -2.314 366 HE3 MET 50 HE3 MET 50 3.498 4.828 -3.337 367 H ARG 51 HN ARG 51 6.835 9.025 1.311 368 HA ARG 51 HA ARG 51 9.565 8.324 1.338 369 HB2 ARG 51 HB2 ARG 51 8.043 10.341 2.341 370 HB3 ARG 51 HB3 ARG 51 8.231 9.426 3.819 371 HG2 ARG 51 HG2 ARG 51 10.745 9.852 2.257 372 HG3 ARG 51 HG3 ARG 51 9.949 11.331 2.769 373 HD2 ARG 51 HD2 ARG 51 11.548 10.794 4.455 374 HD3 ARG 51 HD3 ARG 51 9.930 10.586 5.101 375 HE ARG 51 HE ARG 51 10.278 8.372 5.430 376 HH11 ARG 51 HH11 ARG 51 12.898 9.503 3.300 377 HH12 ARG 51 HH12 ARG 51 13.933 8.151 3.682 378 HH21 ARG 51 HH21 ARG 51 11.660 6.600 5.838 379 HH22 ARG 51 HH22 ARG 51 13.269 6.550 5.163 380 H LYS 52 HN LYS 52 6.878 7.241 3.481 381 HA LYS 52 HA LYS 52 8.335 5.505 5.101 382 HB2 LYS 52 HB2 LYS 52 5.971 6.071 5.440 383 HB3 LYS 52 HB3 LYS 52 5.491 5.101 4.059 384 HG2 LYS 52 HG2 LYS 52 7.106 3.686 6.152 385 HG3 LYS 52 HG3 LYS 52 5.549 4.252 6.680 386 HD2 LYS 52 HD2 LYS 52 4.513 3.015 4.707 387 HD3 LYS 52 HD3 LYS 52 6.106 2.323 4.406 388 HE2 LYS 52 HE2 LYS 52 4.353 1.882 6.874 389 HE3 LYS 52 HE3 LYS 52 4.842 0.698 5.676 390 HZ1 LYS 52 HZ1 LYS 52 7.197 1.335 6.499 391 HZ2 LYS 52 HZ2 LYS 52 6.265 0.251 7.275 392 HZ3 LYS 52 HZ3 LYS 52 6.346 1.789 7.860 393 H VAL 53 HN VAL 53 6.747 4.596 1.955 394 HA VAL 53 HA VAL 53 7.658 1.871 2.276 395 HB VAL 53 HB VAL 53 5.509 2.728 1.169 396 HG11 VAL 53 HG11 VAL 53 7.358 3.064 -1.235 397 HG12 VAL 53 HG12 VAL 53 5.577 3.186 -1.222 398 HG13 VAL 53 HG13 VAL 53 6.559 4.380 -0.369 399 HG21 VAL 53 HG21 VAL 53 5.975 0.469 1.181 400 HG22 VAL 53 HG22 VAL 53 5.547 0.907 -0.496 401 HG23 VAL 53 HG23 VAL 53 7.253 0.613 -0.050 402 H LEU 54 HN LEU 54 8.873 4.748 0.559 403 HA LEU 54 HA LEU 54 10.767 3.374 -1.098 404 HB2 LEU 54 HB2 LEU 54 10.371 6.246 -0.196 405 HB3 LEU 54 HB3 LEU 54 11.859 5.792 -0.912 406 HG LEU 54 HG LEU 54 11.074 5.418 -3.009 407 HD11 LEU 54 HD11 LEU 54 8.746 5.262 -3.727 408 HD12 LEU 54 HD12 LEU 54 8.213 5.304 -2.042 409 HD13 LEU 54 HD13 LEU 54 9.203 3.949 -2.632 410 HD21 LEU 54 HD21 LEU 54 9.790 7.462 -3.571 411 HD22 LEU 54 HD22 LEU 54 11.026 7.796 -2.368 412 HD23 LEU 54 HD23 LEU 54 9.334 7.647 -1.870 413 H GLY 55 HN GLY 55 11.021 5.148 2.041 414 HA2 GLY 55 HA2 GLY 55 13.741 4.665 2.570 415 HA3 GLY 55 HA1 GLY 55 12.457 4.913 3.770 416 H ASP 56 HN ASP 56 10.806 2.754 3.542 417 HA ASP 56 HA ASP 56 12.289 0.646 4.758 418 HB2 ASP 56 HB2 ASP 56 9.481 0.904 3.692 419 HB3 ASP 56 HB3 ASP 56 10.080 -0.676 4.145 420 H LEU 57 HN LEU 57 11.746 1.293 1.299 421 HA LEU 57 HA LEU 57 12.418 -1.469 0.523 422 HB2 LEU 57 HB2 LEU 57 11.922 1.127 -0.971 423 HB3 LEU 57 HB3 LEU 57 12.873 -0.121 -1.734 424 HG LEU 57 HG LEU 57 9.959 -0.330 -0.935 425 HD11 LEU 57 HD11 LEU 57 11.535 -0.304 -3.548 426 HD12 LEU 57 HD12 LEU 57 10.466 0.958 -2.937 427 HD13 LEU 57 HD13 LEU 57 9.813 -0.624 -3.454 428 HD21 LEU 57 HD21 LEU 57 11.682 -2.513 -2.185 429 HD22 LEU 57 HD22 LEU 57 9.942 -2.566 -1.931 430 HD23 LEU 57 HD23 LEU 57 10.998 -2.569 -0.545 431 H ASP 58 HN ASP 58 14.126 1.483 1.241 432 HA ASP 58 HA ASP 58 16.319 1.888 1.580 433 HB2 ASP 58 HB2 ASP 58 16.128 -0.560 2.365 434 HB3 ASP 58 HB3 ASP 58 16.947 -0.990 0.856 435 H GLY 59 HN GLY 59 15.097 0.992 -1.275 436 HA2 GLY 59 HA2 GLY 59 15.858 1.937 -3.453 437 HA3 GLY 59 HA1 GLY 59 17.505 1.591 -2.971 438 H LYS 60 HN LYS 60 14.922 -0.780 -2.262 439 HA LYS 60 HA LYS 60 16.060 -2.740 -3.984 440 HB2 LYS 60 HB2 LYS 60 13.860 -2.534 -2.095 441 HB3 LYS 60 HB3 LYS 60 13.527 -3.653 -3.392 442 HG2 LYS 60 HG2 LYS 60 15.569 -4.863 -2.924 443 HG3 LYS 60 HG3 LYS 60 16.026 -3.723 -1.637 444 HD2 LYS 60 HD2 LYS 60 14.318 -4.408 -0.227 445 HD3 LYS 60 HD3 LYS 60 13.351 -5.155 -1.496 446 HE2 LYS 60 HE2 LYS 60 16.063 -6.258 -0.628 447 HE3 LYS 60 HE3 LYS 60 14.556 -6.697 0.170 448 HZ1 LYS 60 HZ1 LYS 60 13.737 -7.496 -2.007 449 HZ2 LYS 60 HZ2 LYS 60 14.986 -8.324 -1.390 450 HZ3 LYS 60 HZ3 LYS 60 15.251 -7.278 -2.641 451 H ARG 61 HN ARG 61 13.544 -0.315 -4.707 452 HA ARG 61 HA ARG 61 13.434 -1.226 -7.408 453 HB2 ARG 61 HB2 ARG 61 10.907 -1.375 -5.676 454 HB3 ARG 61 HB3 ARG 61 10.810 -1.085 -7.397 455 HG2 ARG 61 HG2 ARG 61 11.916 -3.584 -6.090 456 HG3 ARG 61 HG3 ARG 61 10.374 -3.400 -6.926 457 HD2 ARG 61 HD2 ARG 61 11.642 -2.790 -9.013 458 HD3 ARG 61 HD3 ARG 61 13.145 -3.214 -8.182 459 HE ARG 61 HE ARG 61 11.518 -5.430 -7.852 460 HH11 ARG 61 HH11 ARG 61 12.381 -3.590 -10.746 461 HH12 ARG 61 HH12 ARG 61 12.514 -4.951 -11.777 462 HH21 ARG 61 HH21 ARG 61 11.715 -7.284 -9.177 463 HH22 ARG 61 HH22 ARG 61 11.910 -7.094 -10.892 464 HA PRO 62 HA PRO 62 13.414 3.055 -7.699 465 HB2 PRO 62 HB2 PRO 62 12.134 3.565 -10.132 466 HB3 PRO 62 HB3 PRO 62 13.798 2.972 -9.945 467 HG2 PRO 62 HG2 PRO 62 11.314 1.392 -10.543 468 HG3 PRO 62 HG3 PRO 62 12.948 1.213 -11.260 469 HD2 PRO 62 HD2 PRO 62 12.031 -0.424 -9.282 470 HD3 PRO 62 HD3 PRO 62 13.747 0.059 -9.385 471 H GLU 63 HN GLU 63 12.250 4.730 -6.978 472 HA GLU 63 HA GLU 63 9.717 4.765 -5.978 473 HB2 GLU 63 HB2 GLU 63 11.206 6.611 -5.624 474 HB3 GLU 63 HB3 GLU 63 11.303 6.936 -7.365 475 HG2 GLU 63 HG2 GLU 63 8.882 7.597 -7.364 476 HG3 GLU 63 HG3 GLU 63 8.810 7.296 -5.630 477 H ALA 64 HN ALA 64 10.544 5.486 -9.419 478 HA ALA 64 HA ALA 64 7.973 6.305 -10.163 479 HB1 ALA 64 HB1 ALA 64 10.064 4.847 -11.876 480 HB2 ALA 64 HB2 ALA 64 8.761 5.883 -12.481 481 HB3 ALA 64 HB3 ALA 64 10.074 6.585 -11.510 482 H GLU 65 HN GLU 65 9.303 2.902 -10.085 483 HA GLU 65 HA GLU 65 6.966 1.696 -11.221 484 HB2 GLU 65 HB2 GLU 65 9.183 0.636 -11.121 485 HB3 GLU 65 HB3 GLU 65 9.148 0.643 -9.346 486 HG2 GLU 65 HG2 GLU 65 7.221 -0.853 -9.334 487 HG3 GLU 65 HG3 GLU 65 7.087 -0.683 -11.087 488 H VAL 66 HN VAL 66 8.067 2.526 -7.924 489 HA VAL 66 HA VAL 66 5.941 1.314 -6.494 490 HB VAL 66 HB VAL 66 7.699 3.692 -5.733 491 HG11 VAL 66 HG11 VAL 66 7.205 3.080 -3.430 492 HG12 VAL 66 HG12 VAL 66 5.751 3.590 -4.280 493 HG13 VAL 66 HG13 VAL 66 6.057 1.856 -4.001 494 HG21 VAL 66 HG21 VAL 66 9.002 1.601 -6.251 495 HG22 VAL 66 HG22 VAL 66 9.093 2.077 -4.565 496 HG23 VAL 66 HG23 VAL 66 8.031 0.734 -5.077 497 H ARG 67 HN ARG 67 6.163 4.678 -7.880 498 HA ARG 67 HA ARG 67 3.716 5.677 -6.893 499 HB2 ARG 67 HB2 ARG 67 4.772 6.067 -9.741 500 HB3 ARG 67 HB3 ARG 67 3.639 7.086 -8.879 501 HG2 ARG 67 HG2 ARG 67 6.616 6.809 -8.436 502 HG3 ARG 67 HG3 ARG 67 5.730 8.125 -9.094 503 HD2 ARG 67 HD2 ARG 67 4.510 8.163 -6.765 504 HD3 ARG 67 HD3 ARG 67 5.872 7.143 -6.253 505 HE ARG 67 HE ARG 67 7.360 8.931 -6.462 506 HH11 ARG 67 HH11 ARG 67 4.012 10.154 -7.084 507 HH12 ARG 67 HH12 ARG 67 4.615 11.776 -7.041 508 HH21 ARG 67 HH21 ARG 67 8.002 10.983 -6.669 509 HH22 ARG 67 HH22 ARG 67 6.915 12.228 -7.235 510 H ALA 68 HN ALA 68 4.306 4.144 -10.027 511 HA ALA 68 HA ALA 68 1.655 3.956 -10.870 512 HB1 ALA 68 HB1 ALA 68 3.956 2.077 -11.522 513 HB2 ALA 68 HB2 ALA 68 2.463 2.277 -12.477 514 HB3 ALA 68 HB3 ALA 68 3.610 3.627 -12.326 515 H LYS 69 HN LYS 69 3.534 1.498 -9.003 516 HA LYS 69 HA LYS 69 1.564 -0.507 -8.982 517 HB2 LYS 69 HB2 LYS 69 4.050 -0.506 -8.074 518 HB3 LYS 69 HB3 LYS 69 3.274 -0.070 -6.542 519 HG2 LYS 69 HG2 LYS 69 3.122 -2.373 -6.395 520 HG3 LYS 69 HG3 LYS 69 1.616 -2.114 -7.230 521 HD2 LYS 69 HD2 LYS 69 2.862 -2.538 -9.424 522 HD3 LYS 69 HD3 LYS 69 4.285 -2.904 -8.414 523 HE2 LYS 69 HE2 LYS 69 3.004 -4.660 -7.243 524 HE3 LYS 69 HE3 LYS 69 1.671 -4.453 -8.381 525 HZ1 LYS 69 HZ1 LYS 69 2.997 -5.275 -10.115 526 HZ2 LYS 69 HZ2 LYS 69 3.468 -6.214 -8.870 527 HZ3 LYS 69 HZ3 LYS 69 4.405 -4.970 -9.323 528 H TYR 70 HN TYR 70 1.856 2.438 -6.955 529 HA TYR 70 HA TYR 70 -0.233 1.565 -5.111 530 HB2 TYR 70 HB2 TYR 70 1.780 2.944 -4.464 531 HB3 TYR 70 HB3 TYR 70 1.130 4.272 -5.399 532 HD1 TYR 70 HD1 TYR 70 -0.430 1.812 -2.942 533 HD2 TYR 70 HD2 TYR 70 0.372 5.941 -3.946 534 HE1 TYR 70 HE1 TYR 70 -1.623 2.543 -0.910 535 HE2 TYR 70 HE2 TYR 70 -0.871 6.654 -1.950 536 HH TYR 70 HH TYR 70 -2.007 5.962 0.054 537 H GLU 71 HN GLU 71 0.178 4.184 -7.505 538 HA GLU 71 HA GLU 71 -2.340 5.335 -7.575 539 HB2 GLU 71 HB2 GLU 71 -0.316 4.745 -9.766 540 HB3 GLU 71 HB3 GLU 71 -1.746 5.740 -10.058 541 HG2 GLU 71 HG2 GLU 71 0.192 6.470 -7.822 542 HG3 GLU 71 HG3 GLU 71 0.559 6.861 -9.499 543 H GLY 72 HN GLY 72 -1.207 2.461 -9.431 544 HA2 GLY 72 HA2 GLY 72 -3.644 2.082 -10.874 545 HA3 GLY 72 HA1 GLY 72 -2.349 0.900 -10.662 546 H LEU 73 HN LEU 73 -2.779 1.301 -7.595 547 HA LEU 73 HA LEU 73 -4.364 -1.082 -7.487 548 HB2 LEU 73 HB2 LEU 73 -2.286 -0.033 -5.966 549 HB3 LEU 73 HB3 LEU 73 -3.635 0.244 -4.917 550 HG LEU 73 HG LEU 73 -4.217 -2.157 -4.896 551 HD11 LEU 73 HD11 LEU 73 -2.614 -3.814 -5.956 552 HD12 LEU 73 HD12 LEU 73 -1.819 -2.472 -6.808 553 HD13 LEU 73 HD13 LEU 73 -3.489 -2.908 -7.176 554 HD21 LEU 73 HD21 LEU 73 -2.524 -1.333 -3.319 555 HD22 LEU 73 HD22 LEU 73 -1.259 -1.447 -4.549 556 HD23 LEU 73 HD23 LEU 73 -1.967 -2.921 -3.919 557 H MET 74 HN MET 74 -5.290 2.269 -7.126 558 HA MET 74 HA MET 74 -7.265 1.907 -5.137 559 HB2 MET 74 HB2 MET 74 -6.661 4.110 -5.942 560 HB3 MET 74 HB3 MET 74 -7.356 3.777 -7.538 561 HG2 MET 74 HG2 MET 74 -9.574 3.682 -6.683 562 HG3 MET 74 HG3 MET 74 -9.024 3.540 -5.008 563 HE1 MET 74 HE1 MET 74 -8.887 5.510 -3.364 564 HE2 MET 74 HE2 MET 74 -7.264 5.525 -4.087 565 HE3 MET 74 HE3 MET 74 -8.167 7.044 -3.867 566 H ALA 75 HN ALA 75 -7.538 1.324 -8.685 567 HA ALA 75 HA ALA 75 -10.307 0.529 -8.514 568 HB1 ALA 75 HB1 ALA 75 -8.214 -0.151 -10.644 569 HB2 ALA 75 HB2 ALA 75 -9.974 -0.265 -10.812 570 HB3 ALA 75 HB3 ALA 75 -9.217 1.315 -10.610 571 H VAL 76 HN VAL 76 -7.217 -1.265 -8.165 572 HA VAL 76 HA VAL 76 -8.378 -3.924 -8.204 573 HB VAL 76 HB VAL 76 -5.834 -2.944 -6.832 574 HG11 VAL 76 HG11 VAL 76 -6.720 -5.729 -7.670 575 HG12 VAL 76 HG12 VAL 76 -5.099 -5.313 -7.068 576 HG13 VAL 76 HG13 VAL 76 -6.509 -5.149 -6.016 577 HG21 VAL 76 HG21 VAL 76 -6.281 -4.045 -9.637 578 HG22 VAL 76 HG22 VAL 76 -5.689 -2.420 -9.203 579 HG23 VAL 76 HG23 VAL 76 -4.688 -3.844 -8.895 580 H ALA 77 HN ALA 77 -7.615 -1.512 -5.691 581 HA ALA 77 HA ALA 77 -8.125 -3.013 -3.454 582 HB1 ALA 77 HB1 ALA 77 -8.393 -0.896 -2.286 583 HB2 ALA 77 HB2 ALA 77 -7.072 -0.793 -3.475 584 HB3 ALA 77 HB3 ALA 77 -8.641 -0.025 -3.798 585 H LYS 78 HN LYS 78 -10.376 -0.954 -5.378 586 HA LYS 78 HA LYS 78 -12.671 -1.462 -3.774 587 HB2 LYS 78 HB2 LYS 78 -12.740 -1.106 -6.811 588 HB3 LYS 78 HB3 LYS 78 -14.044 -0.841 -5.656 589 HG2 LYS 78 HG2 LYS 78 -12.427 0.993 -4.660 590 HG3 LYS 78 HG3 LYS 78 -11.639 0.864 -6.240 591 HD2 LYS 78 HD2 LYS 78 -14.474 1.717 -5.631 592 HD3 LYS 78 HD3 LYS 78 -13.161 2.637 -6.413 593 HE2 LYS 78 HE2 LYS 78 -13.271 1.147 -8.377 594 HE3 LYS 78 HE3 LYS 78 -14.573 0.213 -7.615 595 HZ1 LYS 78 HZ1 LYS 78 -14.841 3.115 -8.069 596 HZ2 LYS 78 HZ2 LYS 78 -16.020 1.990 -7.768 597 HZ3 LYS 78 HZ3 LYS 78 -15.280 2.039 -9.225 598 H ALA 79 HN ALA 79 -11.511 -3.229 -6.691 599 HA ALA 79 HA ALA 79 -13.663 -5.069 -6.761 600 HB1 ALA 79 HB1 ALA 79 -10.767 -5.466 -7.647 601 HB2 ALA 79 HB2 ALA 79 -12.162 -6.449 -8.134 602 HB3 ALA 79 HB3 ALA 79 -12.071 -4.753 -8.631 603 H GLN 80 HN GLN 80 -10.479 -5.264 -5.057 604 HA GLN 80 HA GLN 80 -11.021 -7.867 -3.963 605 HB2 GLN 80 HB2 GLN 80 -9.070 -5.685 -3.156 606 HB3 GLN 80 HB3 GLN 80 -9.231 -7.230 -2.333 607 HG2 GLN 80 HG2 GLN 80 -8.948 -8.262 -4.761 608 HG3 GLN 80 HG3 GLN 80 -8.245 -6.704 -5.141 609 HE21 GLN 80 HE21 GLN 80 -6.132 -7.817 -5.526 610 HE22 GLN 80 HE22 GLN 80 -5.199 -8.320 -4.158 611 H LEU 81 HN LEU 81 -11.891 -4.590 -2.799 612 HA LEU 81 HA LEU 81 -12.578 -5.553 -0.159 613 HB2 LEU 81 HB2 LEU 81 -12.700 -3.435 0.368 614 HB3 LEU 81 HB3 LEU 81 -11.965 -3.130 -1.149 615 HG LEU 81 HG LEU 81 -14.524 -2.988 -1.978 616 HD11 LEU 81 HD11 LEU 81 -15.937 -2.020 -0.133 617 HD12 LEU 81 HD12 LEU 81 -14.621 -2.424 1.023 618 HD13 LEU 81 HD13 LEU 81 -15.469 -3.693 0.188 619 HD21 LEU 81 HD21 LEU 81 -12.552 -1.103 -1.431 620 HD22 LEU 81 HD22 LEU 81 -13.960 -0.525 -0.547 621 HD23 LEU 81 HD23 LEU 81 -14.073 -0.875 -2.283 622 H MET 82 HN MET 82 -14.310 -5.004 -3.193 623 HA MET 82 HA MET 82 -16.933 -5.617 -2.122 624 HB2 MET 82 HB2 MET 82 -15.867 -5.849 -4.960 625 HB3 MET 82 HB3 MET 82 -17.574 -5.930 -4.510 626 HG2 MET 82 HG2 MET 82 -16.058 -3.498 -3.622 627 HG3 MET 82 HG3 MET 82 -16.315 -3.674 -5.338 628 HE1 MET 82 HE1 MET 82 -18.084 -3.435 -1.809 629 HE2 MET 82 HE2 MET 82 -19.789 -3.230 -2.262 630 HE3 MET 82 HE3 MET 82 -18.998 -4.797 -2.501 631 H ASP 83 HN ASP 83 -14.448 -7.548 -3.793 632 HA ASP 83 HA ASP 83 -15.569 -10.084 -3.716 633 HB2 ASP 83 HB2 ASP 83 -13.610 -9.436 -4.984 634 HB3 ASP 83 HB3 ASP 83 -12.711 -9.095 -3.515 635 H GLU 84 HN GLU 84 -13.840 -8.360 -1.095 636 HA GLU 84 HA GLU 84 -13.207 -10.647 0.353 637 HB2 GLU 84 HB2 GLU 84 -12.442 -9.304 2.046 638 HB3 GLU 84 HB3 GLU 84 -12.196 -8.384 0.593 639 HG2 GLU 84 HG2 GLU 84 -13.394 -6.675 1.325 640 HG3 GLU 84 HG3 GLU 84 -14.770 -7.715 1.705 641 H LEU 85 HN LEU 85 -16.270 -9.355 0.180 642 HA LEU 85 HA LEU 85 -17.079 -10.452 2.873 643 HB2 LEU 85 HB2 LEU 85 -17.403 -7.994 2.598 644 HB3 LEU 85 HB3 LEU 85 -18.474 -8.342 1.230 645 HG LEU 85 HG LEU 85 -19.710 -9.883 3.102 646 HD11 LEU 85 HD11 LEU 85 -18.055 -9.276 4.841 647 HD12 LEU 85 HD12 LEU 85 -19.707 -8.768 5.260 648 HD13 LEU 85 HD13 LEU 85 -18.528 -7.570 4.684 649 HD21 LEU 85 HD21 LEU 85 -20.783 -8.214 1.736 650 HD22 LEU 85 HD22 LEU 85 -20.082 -6.909 2.722 651 HD23 LEU 85 HD23 LEU 85 -21.272 -8.032 3.437 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -18.797 7.734 2.850 2 HA2 GLY 1 HA2 GLY 1 -19.184 6.379 0.883 3 HA3 GLY 1 HA1 GLY 1 -18.793 8.017 0.366 4 H MET 2 HN MET 2 -17.822 4.731 0.501 5 HA MET 2 HA MET 2 -16.092 3.469 0.132 6 HB2 MET 2 HB2 MET 2 -16.003 5.360 -2.207 7 HB3 MET 2 HB3 MET 2 -14.776 4.101 -2.070 8 HG2 MET 2 HG2 MET 2 -17.743 3.453 -1.929 9 HG3 MET 2 HG3 MET 2 -16.853 3.572 -3.433 10 HE1 MET 2 HE1 MET 2 -17.924 1.425 -0.562 11 HE2 MET 2 HE2 MET 2 -16.928 -0.043 -0.665 12 HE3 MET 2 HE3 MET 2 -16.294 1.386 0.163 13 H GLN 3 HN GLN 3 -14.886 6.744 0.198 14 HA GLN 3 HA GLN 3 -12.463 6.633 -0.438 15 HB2 GLN 3 HB2 GLN 3 -14.014 8.305 1.354 16 HB3 GLN 3 HB3 GLN 3 -12.383 8.258 1.956 17 HG2 GLN 3 HG2 GLN 3 -12.627 8.702 -1.012 18 HG3 GLN 3 HG3 GLN 3 -13.310 9.948 0.025 19 HE21 GLN 3 HE21 GLN 3 -10.315 7.939 -0.199 20 HE22 GLN 3 HE22 GLN 3 -9.331 9.164 0.540 21 H PHE 4 HN PHE 4 -13.303 5.534 2.656 22 HA PHE 4 HA PHE 4 -10.677 5.565 3.961 23 HB2 PHE 4 HB2 PHE 4 -13.465 5.655 4.669 24 HB3 PHE 4 HB3 PHE 4 -12.774 4.304 5.524 25 HD1 PHE 4 HD2 PHE 4 -11.175 7.624 4.683 26 HD2 PHE 4 HD1 PHE 4 -12.815 5.096 7.766 27 HE1 PHE 4 HE2 PHE 4 -10.466 9.242 6.369 28 HE2 PHE 4 HE1 PHE 4 -12.179 6.804 9.464 29 HZ PHE 4 HZ PHE 4 -10.996 8.870 8.787 30 H LYS 5 HN LYS 5 -13.253 3.296 3.097 31 HA LYS 5 HA LYS 5 -11.861 0.906 3.943 32 HB2 LYS 5 HB2 LYS 5 -14.300 1.423 2.162 33 HB3 LYS 5 HB3 LYS 5 -13.719 -0.186 2.594 34 HG2 LYS 5 HG2 LYS 5 -14.088 0.153 4.920 35 HG3 LYS 5 HG3 LYS 5 -14.406 1.869 4.735 36 HD2 LYS 5 HD2 LYS 5 -16.180 -0.201 3.401 37 HD3 LYS 5 HD3 LYS 5 -16.371 0.259 5.091 38 HE2 LYS 5 HE2 LYS 5 -16.387 2.716 4.248 39 HE3 LYS 5 HE3 LYS 5 -16.699 2.024 2.645 40 HZ1 LYS 5 HZ1 LYS 5 -18.668 0.908 3.660 41 HZ2 LYS 5 HZ2 LYS 5 -18.789 2.533 3.744 42 HZ3 LYS 5 HZ3 LYS 5 -18.345 1.712 5.074 43 H ALA 6 HN ALA 6 -12.438 2.618 0.853 44 HA ALA 6 HA ALA 6 -10.775 0.976 -0.806 45 HB1 ALA 6 HB1 ALA 6 -11.448 3.951 -1.032 46 HB2 ALA 6 HB2 ALA 6 -10.759 2.924 -2.297 47 HB3 ALA 6 HB3 ALA 6 -12.398 2.605 -1.715 48 H GLU 7 HN GLU 7 -10.041 3.932 1.228 49 HA GLU 7 HA GLU 7 -7.388 4.162 0.414 50 HB2 GLU 7 HB2 GLU 7 -9.050 5.031 2.755 51 HB3 GLU 7 HB3 GLU 7 -7.314 5.038 3.050 52 HG2 GLU 7 HG2 GLU 7 -6.856 6.596 1.349 53 HG3 GLU 7 HG3 GLU 7 -8.359 6.313 0.513 54 H ALA 8 HN ALA 8 -8.563 2.460 3.347 55 HA ALA 8 HA ALA 8 -6.088 1.384 4.104 56 HB1 ALA 8 HB1 ALA 8 -8.895 0.219 4.506 57 HB2 ALA 8 HB2 ALA 8 -7.439 -0.210 5.436 58 HB3 ALA 8 HB3 ALA 8 -8.113 1.428 5.532 59 H ARG 9 HN ARG 9 -8.694 -0.219 2.104 60 HA ARG 9 HA ARG 9 -7.174 -2.577 1.779 61 HB2 ARG 9 HB2 ARG 9 -9.615 -2.427 1.430 62 HB3 ARG 9 HB3 ARG 9 -9.364 -1.505 -0.047 63 HG2 ARG 9 HG2 ARG 9 -9.895 -3.854 -0.527 64 HG3 ARG 9 HG3 ARG 9 -8.300 -3.421 -1.119 65 HD2 ARG 9 HD2 ARG 9 -8.188 -5.612 -0.225 66 HD3 ARG 9 HD3 ARG 9 -7.258 -4.573 0.841 67 HE ARG 9 HE ARG 9 -9.388 -4.537 2.283 68 HH11 ARG 9 HH11 ARG 9 -8.844 -7.402 0.164 69 HH12 ARG 9 HH12 ARG 9 -9.731 -8.436 1.238 70 HH21 ARG 9 HH21 ARG 9 -10.497 -5.881 3.581 71 HH22 ARG 9 HH22 ARG 9 -10.911 -7.484 3.085 72 H ARG 10 HN ARG 10 -7.032 0.455 -0.127 73 HA ARG 10 HA ARG 10 -5.390 -0.551 -2.265 74 HB2 ARG 10 HB2 ARG 10 -6.391 1.967 -1.666 75 HB3 ARG 10 HB3 ARG 10 -4.725 2.145 -1.147 76 HG2 ARG 10 HG2 ARG 10 -4.114 1.134 -3.468 77 HG3 ARG 10 HG3 ARG 10 -5.789 1.485 -3.911 78 HD2 ARG 10 HD2 ARG 10 -3.533 3.344 -3.211 79 HD3 ARG 10 HD3 ARG 10 -4.519 3.340 -4.670 80 HE ARG 10 HE ARG 10 -5.661 3.997 -2.002 81 HH11 ARG 10 HH11 ARG 10 -4.476 5.493 -5.053 82 HH12 ARG 10 HH12 ARG 10 -5.186 7.025 -4.605 83 HH21 ARG 10 HH21 ARG 10 -6.636 6.013 -1.627 84 HH22 ARG 10 HH22 ARG 10 -6.493 7.271 -2.823 85 H ASN 11 HN ASN 11 -4.479 0.901 0.940 86 HA ASN 11 HA ASN 11 -1.728 0.401 0.399 87 HB2 ASN 11 HB2 ASN 11 -3.168 1.117 2.971 88 HB3 ASN 11 HB3 ASN 11 -1.468 0.692 2.954 89 HD21 ASN 11 HD21 ASN 11 -3.394 3.433 2.830 90 HD22 ASN 11 HD22 ASN 11 -2.337 4.369 1.829 91 H LYS 12 HN LYS 12 -4.207 -1.554 2.102 92 HA LYS 12 HA LYS 12 -2.658 -3.606 3.157 93 HB2 LYS 12 HB2 LYS 12 -5.101 -3.350 3.446 94 HB3 LYS 12 HB3 LYS 12 -5.354 -3.897 1.783 95 HG2 LYS 12 HG2 LYS 12 -4.263 -6.049 2.322 96 HG3 LYS 12 HG3 LYS 12 -3.979 -5.518 3.974 97 HD2 LYS 12 HD2 LYS 12 -6.654 -5.158 3.949 98 HD3 LYS 12 HD3 LYS 12 -6.549 -6.323 2.620 99 HE2 LYS 12 HE2 LYS 12 -5.180 -7.812 4.226 100 HE3 LYS 12 HE3 LYS 12 -5.662 -6.703 5.509 101 HZ1 LYS 12 HZ1 LYS 12 -7.150 -8.565 5.428 102 HZ2 LYS 12 HZ2 LYS 12 -7.413 -8.382 3.821 103 HZ3 LYS 12 HZ3 LYS 12 -8.008 -7.295 4.923 104 H LEU 13 HN LEU 13 -3.930 -3.367 -0.236 105 HA LEU 13 HA LEU 13 -2.537 -5.819 -0.979 106 HB2 LEU 13 HB2 LEU 13 -3.849 -3.633 -2.612 107 HB3 LEU 13 HB3 LEU 13 -3.215 -5.153 -3.289 108 HG LEU 13 HG LEU 13 -5.483 -4.903 -1.251 109 HD11 LEU 13 HD11 LEU 13 -6.915 -5.529 -3.145 110 HD12 LEU 13 HD12 LEU 13 -5.490 -5.576 -4.211 111 HD13 LEU 13 HD13 LEU 13 -6.009 -4.035 -3.510 112 HD21 LEU 13 HD21 LEU 13 -5.845 -7.290 -1.662 113 HD22 LEU 13 HD22 LEU 13 -4.248 -7.056 -1.009 114 HD23 LEU 13 HD23 LEU 13 -4.451 -7.343 -2.754 115 H MET 14 HN MET 14 -1.712 -2.261 -1.329 116 HA MET 14 HA MET 14 0.563 -2.602 -2.827 117 HB2 MET 14 HB2 MET 14 -0.367 -0.474 -2.377 118 HB3 MET 14 HB3 MET 14 -0.166 -0.641 -0.639 119 HG2 MET 14 HG2 MET 14 1.399 0.893 -1.898 120 HG3 MET 14 HG3 MET 14 2.070 -0.155 -0.658 121 HE1 MET 14 HE1 MET 14 4.398 0.637 -4.064 122 HE2 MET 14 HE2 MET 14 2.729 1.136 -4.282 123 HE3 MET 14 HE3 MET 14 3.586 1.566 -2.774 124 H GLY 15 HN GLY 15 0.545 -2.638 0.861 125 HA2 GLY 15 HA2 GLY 15 3.300 -3.182 1.021 126 HA3 GLY 15 HA1 GLY 15 2.174 -3.523 2.279 127 H LEU 16 HN LEU 16 0.612 -5.464 0.477 128 HA LEU 16 HA LEU 16 2.193 -7.819 0.886 129 HB2 LEU 16 HB2 LEU 16 -0.397 -7.114 -0.426 130 HB3 LEU 16 HB3 LEU 16 0.406 -8.552 -1.055 131 HG LEU 16 HG LEU 16 0.452 -9.608 1.058 132 HD11 LEU 16 HD11 LEU 16 -0.745 -7.126 2.361 133 HD12 LEU 16 HD12 LEU 16 0.901 -7.750 2.599 134 HD13 LEU 16 HD13 LEU 16 -0.420 -8.715 3.145 135 HD21 LEU 16 HD21 LEU 16 -2.266 -8.273 0.736 136 HD22 LEU 16 HD22 LEU 16 -1.943 -9.816 1.556 137 HD23 LEU 16 HD23 LEU 16 -1.662 -9.680 -0.179 138 H TRP 17 HN TRP 17 2.027 -5.636 -1.940 139 HA TRP 17 HA TRP 17 3.825 -7.352 -3.532 140 HB2 TRP 17 HB2 TRP 17 2.408 -5.748 -4.730 141 HB3 TRP 17 HB3 TRP 17 3.069 -4.425 -3.790 142 HD1 TRP 17 HD1 TRP 17 4.479 -7.076 -6.282 143 HE1 TRP 17 HE1 TRP 17 6.365 -5.976 -7.656 144 HE3 TRP 17 HE3 TRP 17 4.645 -2.531 -3.960 145 HZ2 TRP 17 HZ2 TRP 17 7.667 -3.432 -7.796 146 HZ3 TRP 17 HZ3 TRP 17 6.269 -0.799 -4.694 147 HH2 TRP 17 HH2 TRP 17 7.782 -1.249 -6.643 148 H VAL 18 HN VAL 18 4.196 -4.473 -1.413 149 HA VAL 18 HA VAL 18 6.952 -4.087 -1.934 150 HB VAL 18 HB VAL 18 5.359 -3.498 0.589 151 HG11 VAL 18 HG11 VAL 18 7.733 -3.328 1.105 152 HG12 VAL 18 HG12 VAL 18 8.005 -2.338 -0.356 153 HG13 VAL 18 HG13 VAL 18 6.998 -1.739 0.968 154 HG21 VAL 18 HG21 VAL 18 4.481 -2.453 -1.532 155 HG22 VAL 18 HG22 VAL 18 4.962 -1.315 -0.291 156 HG23 VAL 18 HG23 VAL 18 6.024 -1.604 -1.697 157 H ALA 19 HN ALA 19 5.446 -5.795 0.863 158 HA ALA 19 HA ALA 19 7.712 -6.919 2.007 159 HB1 ALA 19 HB1 ALA 19 5.536 -6.990 2.990 160 HB2 ALA 19 HB2 ALA 19 4.914 -8.039 1.678 161 HB3 ALA 19 HB3 ALA 19 6.112 -8.663 2.812 162 H GLU 20 HN GLU 20 5.942 -8.098 -0.911 163 HA GLU 20 HA GLU 20 7.498 -10.469 -1.265 164 HB2 GLU 20 HB2 GLU 20 5.523 -10.531 -2.362 165 HB3 GLU 20 HB3 GLU 20 5.527 -8.872 -2.858 166 HG2 GLU 20 HG2 GLU 20 7.138 -9.335 -4.649 167 HG3 GLU 20 HG3 GLU 20 7.261 -11.027 -4.119 168 H VAL 21 HN VAL 21 7.923 -7.152 -2.565 169 HA VAL 21 HA VAL 21 10.320 -7.713 -4.040 170 HB VAL 21 HB VAL 21 9.100 -5.194 -2.851 171 HG11 VAL 21 HG11 VAL 21 10.571 -3.875 -4.270 172 HG12 VAL 21 HG12 VAL 21 11.469 -4.718 -3.019 173 HG13 VAL 21 HG13 VAL 21 11.507 -5.346 -4.688 174 HG21 VAL 21 HG21 VAL 21 7.818 -6.218 -4.685 175 HG22 VAL 21 HG22 VAL 21 8.559 -4.705 -5.207 176 HG23 VAL 21 HG23 VAL 21 9.270 -6.263 -5.692 177 H LEU 22 HN LEU 22 9.738 -7.015 -0.628 178 HA LEU 22 HA LEU 22 12.568 -6.746 0.066 179 HB2 LEU 22 HB2 LEU 22 9.992 -6.991 1.664 180 HB3 LEU 22 HB3 LEU 22 11.564 -6.934 2.445 181 HG LEU 22 HG LEU 22 10.689 -4.741 0.534 182 HD11 LEU 22 HD11 LEU 22 9.984 -3.445 2.496 183 HD12 LEU 22 HD12 LEU 22 10.310 -4.818 3.563 184 HD13 LEU 22 HD13 LEU 22 9.007 -4.915 2.354 185 HD21 LEU 22 HD21 LEU 22 12.679 -4.767 2.855 186 HD22 LEU 22 HD22 LEU 22 12.392 -3.444 1.719 187 HD23 LEU 22 HD23 LEU 22 13.131 -4.941 1.162 188 H GLY 23 HN GLY 23 10.689 -9.514 -0.730 189 HA2 GLY 23 HA2 GLY 23 11.007 -11.751 -0.320 190 HA3 GLY 23 HA1 GLY 23 12.630 -11.367 0.289 191 H LYS 24 HN LYS 24 9.799 -9.830 1.660 192 HA LYS 24 HA LYS 24 9.965 -11.311 4.229 193 HB2 LYS 24 HB2 LYS 24 8.157 -9.140 3.134 194 HB3 LYS 24 HB3 LYS 24 7.837 -9.937 4.657 195 HG2 LYS 24 HG2 LYS 24 9.986 -9.106 5.548 196 HG3 LYS 24 HG3 LYS 24 10.352 -8.321 4.011 197 HD2 LYS 24 HD2 LYS 24 8.378 -6.883 4.202 198 HD3 LYS 24 HD3 LYS 24 7.885 -7.680 5.688 199 HE2 LYS 24 HE2 LYS 24 10.540 -6.189 5.398 200 HE3 LYS 24 HE3 LYS 24 9.052 -5.422 5.930 201 HZ1 LYS 24 HZ1 LYS 24 10.456 -7.585 7.378 202 HZ2 LYS 24 HZ2 LYS 24 9.003 -7.132 7.758 203 HZ3 LYS 24 HZ3 LYS 24 10.223 -6.018 7.864 204 H SER 25 HN SER 25 7.948 -12.600 4.789 205 HA SER 25 HA SER 25 6.365 -13.554 2.518 206 HB2 SER 25 HB2 SER 25 7.207 -15.925 3.037 207 HB3 SER 25 HB3 SER 25 8.274 -14.891 2.086 208 HG SER 25 HG SER 25 9.010 -16.212 4.050 209 H GLY 26 HN GLY 26 4.919 -15.359 3.319 210 HA2 GLY 26 HA2 GLY 26 3.496 -16.334 4.829 211 HA3 GLY 26 HA1 GLY 26 4.883 -16.289 5.904 212 H ASP 27 HN ASP 27 4.700 -15.158 7.708 213 HA ASP 27 HA ASP 27 2.265 -13.586 8.238 214 HB2 ASP 27 HB2 ASP 27 4.450 -14.928 9.873 215 HB3 ASP 27 HB3 ASP 27 3.457 -13.652 10.586 216 H GLU 28 HN GLU 28 5.747 -13.133 7.786 217 HA GLU 28 HA GLU 28 6.065 -10.473 8.851 218 HB2 GLU 28 HB2 GLU 28 7.520 -12.514 7.370 219 HB3 GLU 28 HB3 GLU 28 7.694 -11.005 6.520 220 HG2 GLU 28 HG2 GLU 28 8.133 -11.119 9.520 221 HG3 GLU 28 HG3 GLU 28 9.344 -11.729 8.402 222 H ALA 29 HN ALA 29 5.153 -11.832 5.717 223 HA ALA 29 HA ALA 29 4.628 -9.336 4.402 224 HB1 ALA 29 HB1 ALA 29 3.549 -10.745 2.696 225 HB2 ALA 29 HB2 ALA 29 5.038 -11.546 3.255 226 HB3 ALA 29 HB3 ALA 29 3.447 -12.100 3.824 227 H ASN 30 HN ASN 30 2.893 -10.630 6.978 228 HA ASN 30 HA ASN 30 0.402 -9.180 6.142 229 HB2 ASN 30 HB2 ASN 30 0.777 -11.693 7.812 230 HB3 ASN 30 HB3 ASN 30 -0.627 -10.666 7.991 231 HD21 ASN 30 HD21 ASN 30 0.965 -12.926 5.732 232 HD22 ASN 30 HD22 ASN 30 -0.485 -13.105 4.756 233 H ALA 31 HN ALA 31 3.078 -9.317 8.301 234 HA ALA 31 HA ALA 31 1.849 -7.565 10.293 235 HB1 ALA 31 HB1 ALA 31 3.591 -9.280 10.862 236 HB2 ALA 31 HB2 ALA 31 4.767 -8.371 9.887 237 HB3 ALA 31 HB3 ALA 31 4.035 -7.634 11.321 238 H TYR 32 HN TYR 32 4.369 -7.297 7.714 239 HA TYR 32 HA TYR 32 4.909 -4.549 7.931 240 HB2 TYR 32 HB2 TYR 32 6.221 -6.084 6.542 241 HB3 TYR 32 HB3 TYR 32 4.861 -6.371 5.486 242 HD1 TYR 32 HD1 TYR 32 4.062 -4.617 3.905 243 HD2 TYR 32 HD2 TYR 32 7.520 -3.963 6.394 244 HE1 TYR 32 HE1 TYR 32 4.514 -2.541 2.697 245 HE2 TYR 32 HE2 TYR 32 8.054 -1.950 5.146 246 HH TYR 32 HH TYR 32 7.439 -0.785 2.884 247 H ALA 33 HN ALA 33 2.350 -6.152 6.035 248 HA ALA 33 HA ALA 33 1.215 -3.877 4.923 249 HB1 ALA 33 HB1 ALA 33 -0.826 -5.458 4.722 250 HB2 ALA 33 HB2 ALA 33 0.713 -5.982 4.054 251 HB3 ALA 33 HB3 ALA 33 0.140 -6.652 5.618 252 H ALA 34 HN ALA 34 1.238 -4.375 8.289 253 HA ALA 34 HA ALA 34 -1.194 -2.687 8.647 254 HB1 ALA 34 HB1 ALA 34 -0.593 -4.296 10.419 255 HB2 ALA 34 HB2 ALA 34 0.943 -3.426 10.657 256 HB3 ALA 34 HB3 ALA 34 -0.611 -2.610 10.970 257 H GLU 35 HN GLU 35 2.406 -2.406 8.750 258 HA GLU 35 HA GLU 35 2.524 0.229 9.736 259 HB2 GLU 35 HB2 GLU 35 4.449 -1.276 7.970 260 HB3 GLU 35 HB3 GLU 35 4.806 0.262 8.731 261 HG2 GLU 35 HG2 GLU 35 3.977 -2.234 10.286 262 HG3 GLU 35 HG3 GLU 35 5.624 -1.793 9.920 263 H VAL 36 HN VAL 36 2.387 -0.987 6.434 264 HA VAL 36 HA VAL 36 2.667 1.508 5.062 265 HB VAL 36 HB VAL 36 3.087 -0.903 4.289 266 HG11 VAL 36 HG11 VAL 36 1.594 -2.236 3.595 267 HG12 VAL 36 HG12 VAL 36 0.912 -1.705 5.136 268 HG13 VAL 36 HG13 VAL 36 0.209 -1.077 3.622 269 HG21 VAL 36 HG21 VAL 36 2.536 -0.500 1.964 270 HG22 VAL 36 HG22 VAL 36 1.335 0.734 2.398 271 HG23 VAL 36 HG23 VAL 36 3.063 1.029 2.691 272 H VAL 37 HN VAL 37 -0.009 0.430 6.899 273 HA VAL 37 HA VAL 37 -2.019 1.899 5.266 274 HB VAL 37 HB VAL 37 -2.262 0.085 7.693 275 HG11 VAL 37 HG11 VAL 37 -4.097 1.586 7.763 276 HG12 VAL 37 HG12 VAL 37 -4.400 1.412 6.013 277 HG13 VAL 37 HG13 VAL 37 -4.705 0.047 7.127 278 HG21 VAL 37 HG21 VAL 37 -2.890 -0.423 4.771 279 HG22 VAL 37 HG22 VAL 37 -1.535 -1.100 5.700 280 HG23 VAL 37 HG23 VAL 37 -3.183 -1.542 6.114 281 H LYS 38 HN LYS 38 0.131 2.321 7.971 282 HA LYS 38 HA LYS 38 -1.349 4.547 9.152 283 HB2 LYS 38 HB2 LYS 38 -0.529 3.055 10.731 284 HB3 LYS 38 HB3 LYS 38 0.967 2.755 9.823 285 HG2 LYS 38 HG2 LYS 38 1.626 5.022 10.179 286 HG3 LYS 38 HG3 LYS 38 0.254 5.319 11.281 287 HD2 LYS 38 HD2 LYS 38 1.325 4.173 13.017 288 HD3 LYS 38 HD3 LYS 38 1.833 2.876 11.927 289 HE2 LYS 38 HE2 LYS 38 3.882 3.833 12.490 290 HE3 LYS 38 HE3 LYS 38 3.452 4.501 10.893 291 HZ1 LYS 38 HZ1 LYS 38 4.106 6.342 12.062 292 HZ2 LYS 38 HZ2 LYS 38 3.442 5.890 13.488 293 HZ3 LYS 38 HZ3 LYS 38 2.466 6.405 12.315 294 H ALA 39 HN ALA 39 -1.392 5.814 7.295 295 HA ALA 39 HA ALA 39 0.507 7.791 7.292 296 HB1 ALA 39 HB1 ALA 39 2.139 6.579 6.026 297 HB2 ALA 39 HB2 ALA 39 0.894 5.881 4.965 298 HB3 ALA 39 HB3 ALA 39 1.319 7.590 4.850 299 H ASP 40 HN ASP 40 -1.791 6.063 5.168 300 HA ASP 40 HA ASP 40 -2.715 8.253 3.707 301 HB2 ASP 40 HB2 ASP 40 -4.580 6.922 2.986 302 HB3 ASP 40 HB3 ASP 40 -3.087 6.034 2.966 303 H PHE 41 HN PHE 41 -2.931 8.325 6.848 304 HA PHE 41 HA PHE 41 -5.086 10.291 6.879 305 HB2 PHE 41 HB2 PHE 41 -5.886 9.364 9.057 306 HB3 PHE 41 HB3 PHE 41 -6.341 8.501 7.600 307 HD1 PHE 41 HD2 PHE 41 -3.163 8.315 9.601 308 HD2 PHE 41 HD1 PHE 41 -6.625 6.252 8.151 309 HE1 PHE 41 HE2 PHE 41 -2.232 6.222 10.476 310 HE2 PHE 41 HE1 PHE 41 -5.753 4.128 9.110 311 HZ PHE 41 HZ PHE 41 -3.561 4.101 10.273 312 H GLU 42 HN GLU 42 -2.027 10.172 7.020 313 HA GLU 42 HA GLU 42 -1.642 11.459 9.686 314 HB2 GLU 42 HB2 GLU 42 0.272 9.937 7.904 315 HB3 GLU 42 HB3 GLU 42 0.853 11.031 9.152 316 HG2 GLU 42 HG2 GLU 42 -1.027 8.715 9.757 317 HG3 GLU 42 HG3 GLU 42 0.727 8.576 9.784 318 H GLU 43 HN GLU 43 0.033 11.741 6.466 319 HA GLU 43 HA GLU 43 0.346 14.574 7.205 320 HB2 GLU 43 HB2 GLU 43 2.149 12.714 6.337 321 HB3 GLU 43 HB3 GLU 43 1.763 13.510 4.813 322 HG2 GLU 43 HG2 GLU 43 2.135 15.728 6.075 323 HG3 GLU 43 HG3 GLU 43 2.737 14.760 7.417 324 H ALA 44 HN ALA 44 0.871 15.649 4.687 325 HA ALA 44 HA ALA 44 -1.804 16.414 3.902 326 HB1 ALA 44 HB1 ALA 44 -0.037 18.084 4.184 327 HB2 ALA 44 HB2 ALA 44 0.945 17.287 2.921 328 HB3 ALA 44 HB3 ALA 44 -0.600 18.051 2.520 329 H GLY 45 HN GLY 45 -2.094 14.037 3.312 330 HA2 GLY 45 HA2 GLY 45 -2.943 12.771 1.556 331 HA3 GLY 45 HA1 GLY 45 -2.150 13.833 0.379 332 H HIS 46 HN HIS 46 -1.904 11.383 -0.228 333 HA HIS 46 HA HIS 46 -0.223 9.648 1.153 334 HB2 HIS 46 HB2 HIS 46 -0.423 8.287 -0.968 335 HB3 HIS 46 HB3 HIS 46 -1.916 8.802 -0.202 336 HD1 HIS 46 HD1 HIS 46 0.159 10.818 -2.884 337 HD2 HIS 46 HD2 HIS 46 -3.610 9.038 -2.146 338 HE1 HIS 46 HE1 HIS 46 -1.372 11.545 -4.752 339 H GLU 47 HN GLU 47 1.207 12.211 0.347 340 HA GLU 47 HA GLU 47 3.521 11.419 -1.262 341 HB2 GLU 47 HB2 GLU 47 2.928 13.669 0.722 342 HB3 GLU 47 HB3 GLU 47 4.477 13.427 -0.080 343 HG2 GLU 47 HG2 GLU 47 2.922 13.401 -2.279 344 HG3 GLU 47 HG3 GLU 47 1.864 14.377 -1.228 345 H ASP 48 HN ASP 48 2.508 11.339 2.178 346 HA ASP 48 HA ASP 48 5.178 10.712 3.106 347 HB2 ASP 48 HB2 ASP 48 4.242 10.804 5.268 348 HB3 ASP 48 HB3 ASP 48 3.385 12.003 4.340 349 H VAL 49 HN VAL 49 2.221 8.881 2.434 350 HA VAL 49 HA VAL 49 3.018 6.269 3.012 351 HB VAL 49 HB VAL 49 1.601 7.229 0.478 352 HG11 VAL 49 HG11 VAL 49 1.412 4.495 1.790 353 HG12 VAL 49 HG12 VAL 49 0.518 5.049 0.360 354 HG13 VAL 49 HG13 VAL 49 2.273 4.885 0.276 355 HG21 VAL 49 HG21 VAL 49 0.190 6.227 2.959 356 HG22 VAL 49 HG22 VAL 49 0.430 7.957 2.633 357 HG23 VAL 49 HG23 VAL 49 -0.516 6.971 1.526 358 H MET 50 HN MET 50 4.086 8.313 0.259 359 HA MET 50 HA MET 50 5.622 6.190 -0.973 360 HB2 MET 50 HB2 MET 50 6.015 9.147 -1.390 361 HB3 MET 50 HB3 MET 50 6.642 7.810 -2.369 362 HG2 MET 50 HG2 MET 50 3.689 8.406 -2.060 363 HG3 MET 50 HG3 MET 50 4.732 9.028 -3.328 364 HE1 MET 50 HE1 MET 50 4.326 5.100 -2.047 365 HE2 MET 50 HE2 MET 50 2.811 6.041 -1.948 366 HE3 MET 50 HE3 MET 50 3.025 4.798 -3.214 367 H ARG 51 HN ARG 51 6.545 8.954 1.282 368 HA ARG 51 HA ARG 51 9.271 8.325 1.263 369 HB2 ARG 51 HB2 ARG 51 7.861 10.366 2.238 370 HB3 ARG 51 HB3 ARG 51 7.818 9.340 3.689 371 HG2 ARG 51 HG2 ARG 51 10.326 9.113 3.402 372 HG3 ARG 51 HG3 ARG 51 10.244 10.420 2.212 373 HD2 ARG 51 HD2 ARG 51 9.134 11.835 4.011 374 HD3 ARG 51 HD3 ARG 51 9.484 10.529 5.155 375 HE ARG 51 HE ARG 51 11.662 11.785 3.553 376 HH11 ARG 51 HH11 ARG 51 10.242 11.263 6.818 377 HH12 ARG 51 HH12 ARG 51 11.691 11.783 7.612 378 HH21 ARG 51 HH21 ARG 51 13.375 12.754 4.667 379 HH22 ARG 51 HH22 ARG 51 13.222 13.064 6.379 380 H LYS 52 HN LYS 52 6.618 7.108 3.363 381 HA LYS 52 HA LYS 52 8.153 5.463 5.019 382 HB2 LYS 52 HB2 LYS 52 5.806 5.955 5.411 383 HB3 LYS 52 HB3 LYS 52 5.313 5.011 4.012 384 HG2 LYS 52 HG2 LYS 52 6.936 3.692 6.220 385 HG3 LYS 52 HG3 LYS 52 5.229 4.043 6.481 386 HD2 LYS 52 HD2 LYS 52 4.673 2.745 4.413 387 HD3 LYS 52 HD3 LYS 52 6.348 2.230 4.281 388 HE2 LYS 52 HE2 LYS 52 4.769 1.825 6.846 389 HE3 LYS 52 HE3 LYS 52 4.609 0.686 5.497 390 HZ1 LYS 52 HZ1 LYS 52 6.363 0.036 7.143 391 HZ2 LYS 52 HZ2 LYS 52 7.258 1.325 6.677 392 HZ3 LYS 52 HZ3 LYS 52 6.885 0.171 5.615 393 H VAL 53 HN VAL 53 6.617 4.537 1.844 394 HA VAL 53 HA VAL 53 7.597 1.848 2.173 395 HB VAL 53 HB VAL 53 5.532 2.584 0.954 396 HG11 VAL 53 HG11 VAL 53 6.390 4.375 -0.423 397 HG12 VAL 53 HG12 VAL 53 7.465 3.284 -1.290 398 HG13 VAL 53 HG13 VAL 53 5.706 3.126 -1.458 399 HG21 VAL 53 HG21 VAL 53 7.432 0.706 -0.476 400 HG22 VAL 53 HG22 VAL 53 6.258 0.326 0.812 401 HG23 VAL 53 HG23 VAL 53 5.694 0.837 -0.788 402 H LEU 54 HN LEU 54 8.779 4.750 0.470 403 HA LEU 54 HA LEU 54 10.857 3.511 -0.981 404 HB2 LEU 54 HB2 LEU 54 10.320 6.307 0.054 405 HB3 LEU 54 HB3 LEU 54 11.854 5.919 -0.653 406 HG LEU 54 HG LEU 54 11.181 5.764 -2.761 407 HD11 LEU 54 HD11 LEU 54 8.298 5.301 -2.028 408 HD12 LEU 54 HD12 LEU 54 9.455 4.124 -2.731 409 HD13 LEU 54 HD13 LEU 54 8.919 5.554 -3.659 410 HD21 LEU 54 HD21 LEU 54 10.792 8.059 -1.739 411 HD22 LEU 54 HD22 LEU 54 9.037 7.663 -1.736 412 HD23 LEU 54 HD23 LEU 54 9.926 7.755 -3.240 413 H GLY 55 HN GLY 55 10.766 4.911 2.329 414 HA2 GLY 55 HA2 GLY 55 13.521 4.510 2.965 415 HA3 GLY 55 HA1 GLY 55 12.189 4.736 4.114 416 H ASP 56 HN ASP 56 10.552 2.602 3.778 417 HA ASP 56 HA ASP 56 12.028 0.437 4.967 418 HB2 ASP 56 HB2 ASP 56 9.174 0.929 4.159 419 HB3 ASP 56 HB3 ASP 56 9.696 -0.745 4.313 420 H LEU 57 HN LEU 57 11.821 1.285 1.679 421 HA LEU 57 HA LEU 57 12.293 -1.504 0.747 422 HB2 LEU 57 HB2 LEU 57 11.882 1.155 -0.636 423 HB3 LEU 57 HB3 LEU 57 12.803 -0.081 -1.459 424 HG LEU 57 HG LEU 57 10.006 -0.595 -0.407 425 HD11 LEU 57 HD11 LEU 57 9.267 -0.276 -2.730 426 HD12 LEU 57 HD12 LEU 57 10.916 0.196 -3.214 427 HD13 LEU 57 HD13 LEU 57 9.970 1.206 -2.086 428 HD21 LEU 57 HD21 LEU 57 11.630 -2.084 -2.509 429 HD22 LEU 57 HD22 LEU 57 10.006 -2.499 -1.934 430 HD23 LEU 57 HD23 LEU 57 11.387 -2.650 -0.844 431 H ASP 58 HN ASP 58 14.071 1.172 2.087 432 HA ASP 58 HA ASP 58 16.273 1.640 2.224 433 HB2 ASP 58 HB2 ASP 58 16.143 -0.684 3.132 434 HB3 ASP 58 HB3 ASP 58 16.632 -1.289 1.554 435 H GLY 59 HN GLY 59 14.890 1.802 -0.433 436 HA2 GLY 59 HA2 GLY 59 15.487 2.614 -2.538 437 HA3 GLY 59 HA1 GLY 59 17.187 2.344 -2.167 438 H LYS 60 HN LYS 60 15.055 -0.453 -1.696 439 HA LYS 60 HA LYS 60 16.370 -2.083 -3.466 440 HB2 LYS 60 HB2 LYS 60 13.903 -2.204 -1.931 441 HB3 LYS 60 HB3 LYS 60 13.798 -3.112 -3.395 442 HG2 LYS 60 HG2 LYS 60 16.112 -4.096 -2.679 443 HG3 LYS 60 HG3 LYS 60 15.695 -3.524 -1.065 444 HD2 LYS 60 HD2 LYS 60 13.791 -4.939 -0.947 445 HD3 LYS 60 HD3 LYS 60 13.722 -5.178 -2.689 446 HE2 LYS 60 HE2 LYS 60 15.943 -6.302 -0.963 447 HE3 LYS 60 HE3 LYS 60 14.501 -7.187 -1.476 448 HZ1 LYS 60 HZ1 LYS 60 15.147 -6.757 -3.777 449 HZ2 LYS 60 HZ2 LYS 60 16.252 -7.668 -2.993 450 HZ3 LYS 60 HZ3 LYS 60 16.566 -6.088 -3.294 451 H ARG 61 HN ARG 61 13.635 0.076 -4.252 452 HA ARG 61 HA ARG 61 13.892 -0.654 -7.059 453 HB2 ARG 61 HB2 ARG 61 11.219 -0.670 -5.565 454 HB3 ARG 61 HB3 ARG 61 11.359 -0.684 -7.311 455 HG2 ARG 61 HG2 ARG 61 12.389 -2.880 -5.457 456 HG3 ARG 61 HG3 ARG 61 10.849 -2.870 -6.326 457 HD2 ARG 61 HD2 ARG 61 12.089 -2.819 -8.497 458 HD3 ARG 61 HD3 ARG 61 13.611 -2.864 -7.611 459 HE ARG 61 HE ARG 61 13.322 -5.096 -7.176 460 HH11 ARG 61 HH11 ARG 61 10.255 -3.862 -8.474 461 HH12 ARG 61 HH12 ARG 61 9.452 -5.403 -8.381 462 HH21 ARG 61 HH21 ARG 61 12.306 -7.060 -7.004 463 HH22 ARG 61 HH22 ARG 61 10.665 -7.312 -7.520 464 HA PRO 62 HA PRO 62 13.546 3.704 -7.209 465 HB2 PRO 62 HB2 PRO 62 12.337 4.144 -9.687 466 HB3 PRO 62 HB3 PRO 62 14.054 3.755 -9.442 467 HG2 PRO 62 HG2 PRO 62 11.794 1.896 -10.183 468 HG3 PRO 62 HG3 PRO 62 13.460 1.941 -10.832 469 HD2 PRO 62 HD2 PRO 62 12.718 0.138 -8.961 470 HD3 PRO 62 HD3 PRO 62 14.348 0.876 -8.940 471 H GLU 63 HN GLU 63 12.168 5.218 -6.579 472 HA GLU 63 HA GLU 63 9.545 5.148 -5.707 473 HB2 GLU 63 HB2 GLU 63 10.881 6.929 -5.235 474 HB3 GLU 63 HB3 GLU 63 11.304 7.201 -6.906 475 HG2 GLU 63 HG2 GLU 63 9.952 8.902 -6.270 476 HG3 GLU 63 HG3 GLU 63 8.996 7.957 -7.386 477 H ALA 64 HN ALA 64 10.631 5.615 -9.063 478 HA ALA 64 HA ALA 64 8.120 6.275 -10.202 479 HB1 ALA 64 HB1 ALA 64 10.274 6.567 -11.407 480 HB2 ALA 64 HB2 ALA 64 10.471 4.805 -11.493 481 HB3 ALA 64 HB3 ALA 64 9.135 5.598 -12.350 482 H GLU 65 HN GLU 65 9.643 2.986 -9.841 483 HA GLU 65 HA GLU 65 7.477 1.618 -11.117 484 HB2 GLU 65 HB2 GLU 65 9.844 0.772 -10.901 485 HB3 GLU 65 HB3 GLU 65 9.620 0.646 -9.139 486 HG2 GLU 65 HG2 GLU 65 7.698 -0.893 -9.552 487 HG3 GLU 65 HG3 GLU 65 8.020 -0.759 -11.290 488 H VAL 66 HN VAL 66 8.352 2.399 -7.777 489 HA VAL 66 HA VAL 66 6.477 0.727 -6.463 490 HB VAL 66 HB VAL 66 7.990 3.250 -5.656 491 HG11 VAL 66 HG11 VAL 66 6.536 1.310 -3.813 492 HG12 VAL 66 HG12 VAL 66 7.668 2.581 -3.326 493 HG13 VAL 66 HG13 VAL 66 6.132 3.028 -4.081 494 HG21 VAL 66 HG21 VAL 66 9.583 1.770 -4.645 495 HG22 VAL 66 HG22 VAL 66 8.540 0.344 -4.921 496 HG23 VAL 66 HG23 VAL 66 9.317 1.146 -6.270 497 H ARG 67 HN ARG 67 6.246 4.287 -7.230 498 HA ARG 67 HA ARG 67 3.613 4.406 -6.115 499 HB2 ARG 67 HB2 ARG 67 3.416 6.575 -7.116 500 HB3 ARG 67 HB3 ARG 67 4.992 6.360 -6.383 501 HG2 ARG 67 HG2 ARG 67 6.030 6.036 -8.610 502 HG3 ARG 67 HG3 ARG 67 4.429 6.149 -9.378 503 HD2 ARG 67 HD2 ARG 67 5.795 8.242 -9.447 504 HD3 ARG 67 HD3 ARG 67 4.197 8.393 -8.817 505 HE ARG 67 HE ARG 67 6.327 7.980 -6.774 506 HH11 ARG 67 HH11 ARG 67 3.884 10.227 -8.248 507 HH12 ARG 67 HH12 ARG 67 4.435 11.585 -7.328 508 HH21 ARG 67 HH21 ARG 67 6.836 9.829 -5.458 509 HH22 ARG 67 HH22 ARG 67 5.988 11.360 -5.733 510 H ALA 68 HN ALA 68 4.685 3.537 -9.419 511 HA ALA 68 HA ALA 68 2.118 3.773 -10.640 512 HB1 ALA 68 HB1 ALA 68 4.192 3.465 -11.928 513 HB2 ALA 68 HB2 ALA 68 4.364 1.813 -11.266 514 HB3 ALA 68 HB3 ALA 68 2.985 2.217 -12.307 515 H LYS 69 HN LYS 69 3.626 1.153 -8.758 516 HA LYS 69 HA LYS 69 1.617 -0.803 -9.043 517 HB2 LYS 69 HB2 LYS 69 3.975 -0.833 -7.845 518 HB3 LYS 69 HB3 LYS 69 3.063 -0.380 -6.427 519 HG2 LYS 69 HG2 LYS 69 3.135 -2.695 -6.318 520 HG3 LYS 69 HG3 LYS 69 1.535 -2.450 -7.000 521 HD2 LYS 69 HD2 LYS 69 2.620 -2.904 -9.288 522 HD3 LYS 69 HD3 LYS 69 4.148 -3.175 -8.421 523 HE2 LYS 69 HE2 LYS 69 3.497 -5.309 -8.634 524 HE3 LYS 69 HE3 LYS 69 2.860 -4.921 -7.040 525 HZ1 LYS 69 HZ1 LYS 69 1.298 -6.113 -8.300 526 HZ2 LYS 69 HZ2 LYS 69 1.351 -5.113 -9.564 527 HZ3 LYS 69 HZ3 LYS 69 0.667 -4.621 -8.108 528 H TYR 70 HN TYR 70 1.862 1.877 -6.661 529 HA TYR 70 HA TYR 70 -0.539 1.260 -5.252 530 HB2 TYR 70 HB2 TYR 70 1.424 2.635 -4.444 531 HB3 TYR 70 HB3 TYR 70 0.935 3.909 -5.511 532 HD1 TYR 70 HD1 TYR 70 -0.819 1.689 -2.945 533 HD2 TYR 70 HD2 TYR 70 0.268 5.695 -4.217 534 HE1 TYR 70 HE1 TYR 70 -2.039 2.675 -1.010 535 HE2 TYR 70 HE2 TYR 70 -0.963 6.640 -2.343 536 HH TYR 70 HH TYR 70 -2.053 6.177 -0.345 537 H GLU 71 HN GLU 71 0.166 3.779 -7.684 538 HA GLU 71 HA GLU 71 -2.403 4.920 -7.937 539 HB2 GLU 71 HB2 GLU 71 0.062 4.735 -9.678 540 HB3 GLU 71 HB3 GLU 71 -1.360 5.523 -10.294 541 HG2 GLU 71 HG2 GLU 71 -0.373 6.392 -7.582 542 HG3 GLU 71 HG3 GLU 71 0.551 6.857 -8.996 543 H GLY 72 HN GLY 72 -1.159 1.895 -9.246 544 HA2 GLY 72 HA2 GLY 72 -3.327 1.602 -11.203 545 HA3 GLY 72 HA1 GLY 72 -1.992 0.493 -10.863 546 H LEU 73 HN LEU 73 -3.181 1.103 -7.814 547 HA LEU 73 HA LEU 73 -4.549 -1.458 -7.883 548 HB2 LEU 73 HB2 LEU 73 -2.515 -0.461 -6.334 549 HB3 LEU 73 HB3 LEU 73 -3.872 -0.114 -5.301 550 HG LEU 73 HG LEU 73 -4.495 -2.544 -5.235 551 HD11 LEU 73 HD11 LEU 73 -3.741 -3.333 -7.476 552 HD12 LEU 73 HD12 LEU 73 -2.752 -4.138 -6.273 553 HD13 LEU 73 HD13 LEU 73 -2.091 -2.767 -7.167 554 HD21 LEU 73 HD21 LEU 73 -2.844 -1.739 -3.613 555 HD22 LEU 73 HD22 LEU 73 -1.547 -1.815 -4.804 556 HD23 LEU 73 HD23 LEU 73 -2.228 -3.305 -4.221 557 H MET 74 HN MET 74 -5.669 1.722 -7.841 558 HA MET 74 HA MET 74 -7.503 1.599 -5.653 559 HB2 MET 74 HB2 MET 74 -7.000 3.713 -6.792 560 HB3 MET 74 HB3 MET 74 -7.857 3.157 -8.243 561 HG2 MET 74 HG2 MET 74 -9.942 2.933 -6.970 562 HG3 MET 74 HG3 MET 74 -9.118 3.371 -5.479 563 HE1 MET 74 HE1 MET 74 -8.644 5.783 -4.698 564 HE2 MET 74 HE2 MET 74 -7.452 5.936 -6.006 565 HE3 MET 74 HE3 MET 74 -8.670 7.206 -5.764 566 H ALA 75 HN ALA 75 -7.952 0.678 -9.117 567 HA ALA 75 HA ALA 75 -10.627 -0.232 -8.774 568 HB1 ALA 75 HB1 ALA 75 -10.303 -1.373 -10.923 569 HB2 ALA 75 HB2 ALA 75 -9.634 0.267 -10.996 570 HB3 ALA 75 HB3 ALA 75 -8.558 -1.144 -10.812 571 H VAL 76 HN VAL 76 -7.445 -1.905 -8.266 572 HA VAL 76 HA VAL 76 -8.682 -4.517 -8.140 573 HB VAL 76 HB VAL 76 -6.047 -3.623 -6.918 574 HG11 VAL 76 HG11 VAL 76 -6.768 -5.784 -6.051 575 HG12 VAL 76 HG12 VAL 76 -7.167 -6.350 -7.668 576 HG13 VAL 76 HG13 VAL 76 -5.474 -6.046 -7.231 577 HG21 VAL 76 HG21 VAL 76 -5.056 -4.583 -9.049 578 HG22 VAL 76 HG22 VAL 76 -6.695 -4.617 -9.723 579 HG23 VAL 76 HG23 VAL 76 -5.938 -3.070 -9.281 580 H ALA 77 HN ALA 77 -7.606 -2.141 -5.716 581 HA ALA 77 HA ALA 77 -8.227 -3.500 -3.413 582 HB1 ALA 77 HB1 ALA 77 -6.938 -1.446 -3.460 583 HB2 ALA 77 HB2 ALA 77 -8.361 -0.506 -3.972 584 HB3 ALA 77 HB3 ALA 77 -8.325 -1.242 -2.364 585 H LYS 78 HN LYS 78 -10.233 -1.333 -5.426 586 HA LYS 78 HA LYS 78 -12.603 -1.491 -3.787 587 HB2 LYS 78 HB2 LYS 78 -11.963 -0.459 -6.569 588 HB3 LYS 78 HB3 LYS 78 -13.615 -0.605 -6.020 589 HG2 LYS 78 HG2 LYS 78 -12.994 0.763 -3.948 590 HG3 LYS 78 HG3 LYS 78 -11.411 1.041 -4.692 591 HD2 LYS 78 HD2 LYS 78 -12.809 2.939 -5.212 592 HD3 LYS 78 HD3 LYS 78 -12.603 1.990 -6.701 593 HE2 LYS 78 HE2 LYS 78 -14.870 0.826 -5.981 594 HE3 LYS 78 HE3 LYS 78 -15.034 2.163 -4.857 595 HZ1 LYS 78 HZ1 LYS 78 -14.766 2.313 -7.791 596 HZ2 LYS 78 HZ2 LYS 78 -14.789 3.632 -6.804 597 HZ3 LYS 78 HZ3 LYS 78 -16.122 2.671 -6.893 598 H ALA 79 HN ALA 79 -11.491 -3.504 -6.534 599 HA ALA 79 HA ALA 79 -14.000 -4.798 -6.989 600 HB1 ALA 79 HB1 ALA 79 -11.186 -5.967 -7.205 601 HB2 ALA 79 HB2 ALA 79 -12.662 -6.601 -7.950 602 HB3 ALA 79 HB3 ALA 79 -12.005 -5.034 -8.482 603 H GLN 80 HN GLN 80 -11.259 -5.484 -4.766 604 HA GLN 80 HA GLN 80 -12.447 -7.767 -3.552 605 HB2 GLN 80 HB2 GLN 80 -10.376 -5.784 -2.543 606 HB3 GLN 80 HB3 GLN 80 -10.883 -7.226 -1.666 607 HG2 GLN 80 HG2 GLN 80 -10.273 -8.611 -3.696 608 HG3 GLN 80 HG3 GLN 80 -9.612 -7.146 -4.442 609 HE21 GLN 80 HE21 GLN 80 -7.723 -8.895 -4.361 610 HE22 GLN 80 HE22 GLN 80 -6.755 -8.873 -2.916 611 H LEU 81 HN LEU 81 -13.019 -4.343 -2.914 612 HA LEU 81 HA LEU 81 -14.236 -4.773 -0.319 613 HB2 LEU 81 HB2 LEU 81 -14.255 -2.493 -2.307 614 HB3 LEU 81 HB3 LEU 81 -15.323 -2.456 -0.920 615 HG LEU 81 HG LEU 81 -12.345 -2.966 -0.588 616 HD11 LEU 81 HD11 LEU 81 -12.034 -0.651 -0.095 617 HD12 LEU 81 HD12 LEU 81 -13.734 -0.263 -0.486 618 HD13 LEU 81 HD13 LEU 81 -12.603 -0.810 -1.753 619 HD21 LEU 81 HD21 LEU 81 -12.764 -2.153 1.700 620 HD22 LEU 81 HD22 LEU 81 -13.839 -3.494 1.338 621 HD23 LEU 81 HD23 LEU 81 -14.486 -1.854 1.298 622 H MET 82 HN MET 82 -15.495 -4.733 -3.619 623 HA MET 82 HA MET 82 -18.294 -4.925 -2.761 624 HB2 MET 82 HB2 MET 82 -16.959 -5.517 -5.436 625 HB3 MET 82 HB3 MET 82 -18.689 -5.347 -5.165 626 HG2 MET 82 HG2 MET 82 -16.685 -3.137 -4.592 627 HG3 MET 82 HG3 MET 82 -17.449 -3.329 -6.124 628 HE1 MET 82 HE1 MET 82 -19.202 -1.308 -2.420 629 HE2 MET 82 HE2 MET 82 -18.672 -2.979 -2.175 630 HE3 MET 82 HE3 MET 82 -17.511 -1.752 -2.731 631 H ASP 83 HN ASP 83 -15.715 -7.144 -3.692 632 HA ASP 83 HA ASP 83 -17.171 -9.600 -3.632 633 HB2 ASP 83 HB2 ASP 83 -14.917 -9.039 -4.637 634 HB3 ASP 83 HB3 ASP 83 -14.239 -9.010 -3.012 635 H GLU 84 HN GLU 84 -15.282 -7.863 -1.090 636 HA GLU 84 HA GLU 84 -15.717 -9.817 0.968 637 HB2 GLU 84 HB2 GLU 84 -14.683 -6.972 0.847 638 HB3 GLU 84 HB3 GLU 84 -14.947 -7.714 2.406 639 HG2 GLU 84 HG2 GLU 84 -13.395 -9.443 0.529 640 HG3 GLU 84 HG3 GLU 84 -12.611 -7.931 0.993 641 H LEU 85 HN LEU 85 -17.980 -7.717 -0.289 642 HA LEU 85 HA LEU 85 -19.927 -6.803 0.392 643 HB2 LEU 85 HB2 LEU 85 -20.257 -9.243 0.022 644 HB3 LEU 85 HB3 LEU 85 -20.228 -9.506 1.746 645 HG LEU 85 HG LEU 85 -22.473 -9.459 0.628 646 HD11 LEU 85 HD11 LEU 85 -22.345 -7.305 2.751 647 HD12 LEU 85 HD12 LEU 85 -22.223 -9.040 3.085 648 HD13 LEU 85 HD13 LEU 85 -23.694 -8.376 2.353 649 HD21 LEU 85 HD21 LEU 85 -22.113 -6.446 0.474 650 HD22 LEU 85 HD22 LEU 85 -23.531 -7.390 -0.019 651 HD23 LEU 85 HD23 LEU 85 -22.013 -7.542 -0.912 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -17.393 8.985 1.826 2 HA2 GLY 1 HA2 GLY 1 -19.616 7.480 0.553 3 HA3 GLY 1 HA1 GLY 1 -18.690 8.759 -0.246 4 H MET 2 HN MET 2 -18.290 5.561 1.364 5 HA MET 2 HA MET 2 -17.081 3.787 1.018 6 HB2 MET 2 HB2 MET 2 -17.183 4.848 -1.821 7 HB3 MET 2 HB3 MET 2 -16.383 3.330 -1.426 8 HG2 MET 2 HG2 MET 2 -19.267 3.956 -0.695 9 HG3 MET 2 HG3 MET 2 -18.767 3.085 -2.145 10 HE1 MET 2 HE1 MET 2 -20.401 1.092 -1.492 11 HE2 MET 2 HE2 MET 2 -20.352 0.259 0.080 12 HE3 MET 2 HE3 MET 2 -20.874 1.956 -0.008 13 H GLN 3 HN GLN 3 -15.336 6.702 0.445 14 HA GLN 3 HA GLN 3 -12.952 5.965 -0.493 15 HB2 GLN 3 HB2 GLN 3 -13.782 8.254 0.150 16 HB3 GLN 3 HB3 GLN 3 -13.347 7.888 1.828 17 HG2 GLN 3 HG2 GLN 3 -10.967 7.665 1.143 18 HG3 GLN 3 HG3 GLN 3 -11.429 8.034 -0.527 19 HE21 GLN 3 HE21 GLN 3 -9.885 9.850 -0.279 20 HE22 GLN 3 HE22 GLN 3 -10.348 11.316 0.564 21 H PHE 4 HN PHE 4 -13.978 5.208 2.629 22 HA PHE 4 HA PHE 4 -11.582 4.769 4.200 23 HB2 PHE 4 HB2 PHE 4 -14.428 4.937 4.502 24 HB3 PHE 4 HB3 PHE 4 -13.805 3.575 5.412 25 HD1 PHE 4 HD2 PHE 4 -13.360 7.264 4.820 26 HD2 PHE 4 HD1 PHE 4 -12.448 3.898 7.353 27 HE1 PHE 4 HE2 PHE 4 -12.617 8.784 6.552 28 HE2 PHE 4 HE1 PHE 4 -11.619 5.420 9.061 29 HZ PHE 4 HZ PHE 4 -11.756 7.904 8.746 30 H LYS 5 HN LYS 5 -14.102 2.888 2.485 31 HA LYS 5 HA LYS 5 -13.296 0.282 3.480 32 HB2 LYS 5 HB2 LYS 5 -15.022 1.111 1.149 33 HB3 LYS 5 HB3 LYS 5 -14.664 -0.574 1.544 34 HG2 LYS 5 HG2 LYS 5 -15.689 1.236 3.759 35 HG3 LYS 5 HG3 LYS 5 -16.768 0.698 2.508 36 HD2 LYS 5 HD2 LYS 5 -16.985 -0.734 4.390 37 HD3 LYS 5 HD3 LYS 5 -16.344 -1.658 3.031 38 HE2 LYS 5 HE2 LYS 5 -14.112 -1.655 3.982 39 HE3 LYS 5 HE3 LYS 5 -14.587 -0.483 5.232 40 HZ1 LYS 5 HZ1 LYS 5 -14.496 -2.784 6.033 41 HZ2 LYS 5 HZ2 LYS 5 -15.688 -3.223 4.987 42 HZ3 LYS 5 HZ3 LYS 5 -15.992 -2.148 6.194 43 H ALA 6 HN ALA 6 -12.823 2.220 0.542 44 HA ALA 6 HA ALA 6 -10.787 0.604 -0.646 45 HB1 ALA 6 HB1 ALA 6 -10.272 2.614 -1.961 46 HB2 ALA 6 HB2 ALA 6 -12.020 2.315 -1.927 47 HB3 ALA 6 HB3 ALA 6 -11.312 3.597 -0.923 48 H GLU 7 HN GLU 7 -10.615 3.432 1.701 49 HA GLU 7 HA GLU 7 -7.984 3.904 1.306 50 HB2 GLU 7 HB2 GLU 7 -8.122 5.378 3.044 51 HB3 GLU 7 HB3 GLU 7 -9.833 4.987 2.973 52 HG2 GLU 7 HG2 GLU 7 -9.504 3.332 4.831 53 HG3 GLU 7 HG3 GLU 7 -7.853 3.929 4.994 54 H ALA 8 HN ALA 8 -9.118 1.711 3.851 55 HA ALA 8 HA ALA 8 -6.449 1.102 4.709 56 HB1 ALA 8 HB1 ALA 8 -7.486 -0.637 6.098 57 HB2 ALA 8 HB2 ALA 8 -8.416 0.874 6.188 58 HB3 ALA 8 HB3 ALA 8 -9.011 -0.488 5.192 59 H ARG 9 HN ARG 9 -8.666 -0.486 2.411 60 HA ARG 9 HA ARG 9 -7.079 -2.863 2.072 61 HB2 ARG 9 HB2 ARG 9 -9.583 -2.270 1.362 62 HB3 ARG 9 HB3 ARG 9 -8.829 -1.711 -0.112 63 HG2 ARG 9 HG2 ARG 9 -9.218 -4.477 0.943 64 HG3 ARG 9 HG3 ARG 9 -9.409 -3.857 -0.686 65 HD2 ARG 9 HD2 ARG 9 -6.971 -3.788 -0.956 66 HD3 ARG 9 HD3 ARG 9 -6.762 -4.540 0.636 67 HE ARG 9 HE ARG 9 -7.313 -5.867 -1.835 68 HH11 ARG 9 HH11 ARG 9 -8.162 -6.165 1.659 69 HH12 ARG 9 HH12 ARG 9 -8.311 -7.876 1.505 70 HH21 ARG 9 HH21 ARG 9 -7.509 -8.047 -1.919 71 HH22 ARG 9 HH22 ARG 9 -8.113 -8.945 -0.547 72 H ARG 10 HN ARG 10 -7.095 0.397 0.560 73 HA ARG 10 HA ARG 10 -5.256 -0.075 -1.548 74 HB2 ARG 10 HB2 ARG 10 -6.750 2.063 -0.997 75 HB3 ARG 10 HB3 ARG 10 -5.386 2.534 -0.005 76 HG2 ARG 10 HG2 ARG 10 -3.975 1.936 -2.183 77 HG3 ARG 10 HG3 ARG 10 -5.527 2.047 -2.995 78 HD2 ARG 10 HD2 ARG 10 -3.637 4.090 -2.226 79 HD3 ARG 10 HD3 ARG 10 -4.973 4.179 -3.364 80 HE ARG 10 HE ARG 10 -5.700 4.417 -0.542 81 HH11 ARG 10 HH11 ARG 10 -4.650 6.332 -3.425 82 HH12 ARG 10 HH12 ARG 10 -4.896 7.820 -2.523 83 HH21 ARG 10 HH21 ARG 10 -5.884 6.401 0.475 84 HH22 ARG 10 HH22 ARG 10 -5.486 7.865 -0.380 85 H ASN 11 HN ASN 11 -4.593 1.379 1.720 86 HA ASN 11 HA ASN 11 -1.805 1.212 1.413 87 HB2 ASN 11 HB2 ASN 11 -3.586 1.412 3.867 88 HB3 ASN 11 HB3 ASN 11 -1.839 1.149 4.054 89 HD21 ASN 11 HD21 ASN 11 -3.905 3.705 4.222 90 HD22 ASN 11 HD22 ASN 11 -2.987 4.875 3.362 91 H LYS 12 HN LYS 12 -4.010 -1.224 2.827 92 HA LYS 12 HA LYS 12 -2.031 -2.989 3.723 93 HB2 LYS 12 HB2 LYS 12 -4.437 -3.086 4.246 94 HB3 LYS 12 HB3 LYS 12 -4.790 -3.678 2.611 95 HG2 LYS 12 HG2 LYS 12 -3.605 -5.729 3.019 96 HG3 LYS 12 HG3 LYS 12 -2.865 -5.083 4.508 97 HD2 LYS 12 HD2 LYS 12 -5.230 -4.858 5.418 98 HD3 LYS 12 HD3 LYS 12 -5.785 -5.801 4.039 99 HE2 LYS 12 HE2 LYS 12 -4.660 -7.739 4.746 100 HE3 LYS 12 HE3 LYS 12 -3.519 -6.850 5.759 101 HZ1 LYS 12 HZ1 LYS 12 -5.217 -6.435 7.342 102 HZ2 LYS 12 HZ2 LYS 12 -5.252 -8.036 7.019 103 HZ3 LYS 12 HZ3 LYS 12 -6.390 -7.039 6.365 104 H LEU 13 HN LEU 13 -3.553 -2.806 0.452 105 HA LEU 13 HA LEU 13 -2.134 -5.045 -0.587 106 HB2 LEU 13 HB2 LEU 13 -3.412 -2.627 -1.886 107 HB3 LEU 13 HB3 LEU 13 -2.551 -3.848 -2.851 108 HG LEU 13 HG LEU 13 -4.836 -4.541 -1.015 109 HD11 LEU 13 HD11 LEU 13 -4.823 -3.939 -4.024 110 HD12 LEU 13 HD12 LEU 13 -5.584 -2.949 -2.763 111 HD13 LEU 13 HD13 LEU 13 -6.208 -4.570 -3.121 112 HD21 LEU 13 HD21 LEU 13 -3.877 -6.100 -3.415 113 HD22 LEU 13 HD22 LEU 13 -4.799 -6.659 -1.997 114 HD23 LEU 13 HD23 LEU 13 -3.095 -6.336 -1.851 115 H MET 14 HN MET 14 -1.184 -1.495 -0.608 116 HA MET 14 HA MET 14 1.208 -1.834 -2.013 117 HB2 MET 14 HB2 MET 14 0.346 0.313 -1.466 118 HB3 MET 14 HB3 MET 14 0.333 -0.021 0.248 119 HG2 MET 14 HG2 MET 14 2.111 1.257 0.271 120 HG3 MET 14 HG3 MET 14 2.986 -0.219 -0.054 121 HE1 MET 14 HE1 MET 14 3.922 0.501 -3.839 122 HE2 MET 14 HE2 MET 14 4.165 -0.562 -2.426 123 HE3 MET 14 HE3 MET 14 2.558 -0.468 -3.209 124 H GLY 15 HN GLY 15 0.648 -2.112 1.583 125 HA2 GLY 15 HA2 GLY 15 3.308 -2.856 2.152 126 HA3 GLY 15 HA1 GLY 15 1.926 -3.184 3.165 127 H LEU 16 HN LEU 16 0.487 -5.083 1.430 128 HA LEU 16 HA LEU 16 1.983 -7.479 1.830 129 HB2 LEU 16 HB2 LEU 16 -0.543 -6.790 0.326 130 HB3 LEU 16 HB3 LEU 16 0.290 -8.253 -0.122 131 HG LEU 16 HG LEU 16 -1.365 -8.923 1.303 132 HD11 LEU 16 HD11 LEU 16 0.886 -10.001 1.736 133 HD12 LEU 16 HD12 LEU 16 -0.257 -10.103 3.097 134 HD13 LEU 16 HD13 LEU 16 1.048 -8.935 3.142 135 HD21 LEU 16 HD21 LEU 16 -1.767 -6.724 2.407 136 HD22 LEU 16 HD22 LEU 16 -0.431 -7.100 3.516 137 HD23 LEU 16 HD23 LEU 16 -1.871 -8.127 3.485 138 H TRP 17 HN TRP 17 1.619 -5.419 -1.117 139 HA TRP 17 HA TRP 17 3.042 -7.233 -2.868 140 HB2 TRP 17 HB2 TRP 17 1.630 -5.529 -3.824 141 HB3 TRP 17 HB3 TRP 17 2.510 -4.252 -2.995 142 HD1 TRP 17 HD1 TRP 17 3.165 -6.882 -5.776 143 HE1 TRP 17 HE1 TRP 17 5.170 -6.150 -7.163 144 HE3 TRP 17 HE3 TRP 17 4.220 -2.530 -3.413 145 HZ2 TRP 17 HZ2 TRP 17 6.878 -3.813 -7.386 146 HZ3 TRP 17 HZ3 TRP 17 6.061 -1.024 -4.219 147 HH2 TRP 17 HH2 TRP 17 7.375 -1.671 -6.234 148 H VAL 18 HN VAL 18 4.075 -4.423 -0.905 149 HA VAL 18 HA VAL 18 6.809 -4.434 -1.618 150 HB VAL 18 HB VAL 18 5.287 -3.533 0.855 151 HG11 VAL 18 HG11 VAL 18 7.163 -2.068 1.366 152 HG12 VAL 18 HG12 VAL 18 7.643 -3.758 1.524 153 HG13 VAL 18 HG13 VAL 18 8.150 -2.829 0.097 154 HG21 VAL 18 HG21 VAL 18 5.197 -1.424 -0.087 155 HG22 VAL 18 HG22 VAL 18 6.478 -1.768 -1.304 156 HG23 VAL 18 HG23 VAL 18 4.864 -2.458 -1.454 157 H ALA 19 HN ALA 19 5.158 -5.929 1.244 158 HA ALA 19 HA ALA 19 7.375 -6.955 2.503 159 HB1 ALA 19 HB1 ALA 19 5.800 -8.541 3.515 160 HB2 ALA 19 HB2 ALA 19 5.050 -6.959 3.379 161 HB3 ALA 19 HB3 ALA 19 4.633 -8.256 2.236 162 H GLU 20 HN GLU 20 5.554 -8.457 -0.179 163 HA GLU 20 HA GLU 20 7.134 -10.811 -0.388 164 HB2 GLU 20 HB2 GLU 20 4.947 -10.756 -1.264 165 HB3 GLU 20 HB3 GLU 20 5.244 -9.277 -2.172 166 HG2 GLU 20 HG2 GLU 20 6.669 -10.478 -3.759 167 HG3 GLU 20 HG3 GLU 20 6.510 -11.961 -2.807 168 H VAL 21 HN VAL 21 7.488 -7.592 -1.943 169 HA VAL 21 HA VAL 21 9.771 -8.296 -3.563 170 HB VAL 21 HB VAL 21 8.746 -5.626 -2.481 171 HG11 VAL 21 HG11 VAL 21 10.119 -4.514 -4.165 172 HG12 VAL 21 HG12 VAL 21 11.114 -5.326 -2.964 173 HG13 VAL 21 HG13 VAL 21 10.907 -6.066 -4.574 174 HG21 VAL 21 HG21 VAL 21 7.955 -5.255 -4.772 175 HG22 VAL 21 HG22 VAL 21 8.558 -6.867 -5.248 176 HG23 VAL 21 HG23 VAL 21 7.232 -6.704 -4.094 177 H LEU 22 HN LEU 22 9.362 -7.660 -0.150 178 HA LEU 22 HA LEU 22 12.264 -7.496 0.410 179 HB2 LEU 22 HB2 LEU 22 9.691 -6.984 1.914 180 HB3 LEU 22 HB3 LEU 22 11.104 -7.453 2.835 181 HG LEU 22 HG LEU 22 12.382 -5.563 2.051 182 HD11 LEU 22 HD11 LEU 22 11.406 -5.210 -0.208 183 HD12 LEU 22 HD12 LEU 22 11.410 -3.730 0.768 184 HD13 LEU 22 HD13 LEU 22 9.905 -4.648 0.540 185 HD21 LEU 22 HD21 LEU 22 11.063 -3.793 3.174 186 HD22 LEU 22 HD22 LEU 22 10.945 -5.337 4.049 187 HD23 LEU 22 HD23 LEU 22 9.594 -4.788 3.037 188 H GLY 23 HN GLY 23 10.293 -10.034 -0.381 189 HA2 GLY 23 HA2 GLY 23 10.669 -12.278 -0.188 190 HA3 GLY 23 HA1 GLY 23 12.097 -11.930 0.793 191 H LYS 24 HN LYS 24 9.207 -10.489 2.030 192 HA LYS 24 HA LYS 24 9.094 -12.321 4.335 193 HB2 LYS 24 HB2 LYS 24 7.276 -10.070 3.404 194 HB3 LYS 24 HB3 LYS 24 7.127 -10.895 4.941 195 HG2 LYS 24 HG2 LYS 24 9.400 -10.059 5.585 196 HG3 LYS 24 HG3 LYS 24 9.487 -9.164 4.071 197 HD2 LYS 24 HD2 LYS 24 7.716 -7.713 4.685 198 HD3 LYS 24 HD3 LYS 24 7.189 -8.729 6.026 199 HE2 LYS 24 HE2 LYS 24 10.016 -7.830 6.143 200 HE3 LYS 24 HE3 LYS 24 8.848 -6.511 6.220 201 HZ1 LYS 24 HZ1 LYS 24 7.826 -7.710 8.135 202 HZ2 LYS 24 HZ2 LYS 24 9.388 -7.308 8.425 203 HZ3 LYS 24 HZ3 LYS 24 8.976 -8.841 8.047 204 H SER 25 HN SER 25 6.904 -13.379 4.857 205 HA SER 25 HA SER 25 4.951 -13.662 2.782 206 HB2 SER 25 HB2 SER 25 5.289 -16.273 2.816 207 HB3 SER 25 HB3 SER 25 6.223 -15.271 1.699 208 HG SER 25 HG SER 25 7.553 -16.720 2.641 209 H GLY 26 HN GLY 26 3.178 -15.205 3.600 210 HA2 GLY 26 HA2 GLY 26 1.701 -15.777 5.251 211 HA3 GLY 26 HA1 GLY 26 3.121 -16.149 6.261 212 H ASP 27 HN ASP 27 2.295 -15.299 8.153 213 HA ASP 27 HA ASP 27 0.753 -12.951 8.394 214 HB2 ASP 27 HB2 ASP 27 2.425 -14.449 10.416 215 HB3 ASP 27 HB3 ASP 27 1.461 -13.054 10.826 216 H GLU 28 HN GLU 28 4.357 -13.230 8.453 217 HA GLU 28 HA GLU 28 5.108 -10.729 9.354 218 HB2 GLU 28 HB2 GLU 28 6.078 -12.859 7.551 219 HB3 GLU 28 HB3 GLU 28 6.667 -11.287 7.062 220 HG2 GLU 28 HG2 GLU 28 6.861 -12.091 9.951 221 HG3 GLU 28 HG3 GLU 28 7.928 -12.841 8.769 222 H ALA 29 HN ALA 29 3.772 -11.631 6.186 223 HA ALA 29 HA ALA 29 4.335 -9.104 4.927 224 HB1 ALA 29 HB1 ALA 29 2.231 -11.154 4.127 225 HB2 ALA 29 HB2 ALA 29 3.104 -10.018 3.081 226 HB3 ALA 29 HB3 ALA 29 3.948 -11.373 3.831 227 H ASN 30 HN ASN 30 1.693 -10.327 6.784 228 HA ASN 30 HA ASN 30 -0.264 -8.239 6.021 229 HB2 ASN 30 HB2 ASN 30 -1.763 -9.637 6.967 230 HB3 ASN 30 HB3 ASN 30 -0.459 -10.749 7.380 231 HD21 ASN 30 HD21 ASN 30 0.424 -10.819 9.335 232 HD22 ASN 30 HD22 ASN 30 -0.474 -10.329 10.761 233 H ALA 31 HN ALA 31 1.990 -9.137 8.633 234 HA ALA 31 HA ALA 31 1.037 -7.183 10.357 235 HB1 ALA 31 HB1 ALA 31 3.741 -8.608 10.354 236 HB2 ALA 31 HB2 ALA 31 3.062 -7.721 11.734 237 HB3 ALA 31 HB3 ALA 31 2.251 -9.190 11.140 238 H TYR 32 HN TYR 32 3.656 -7.331 8.007 239 HA TYR 32 HA TYR 32 4.886 -4.760 8.341 240 HB2 TYR 32 HB2 TYR 32 5.800 -6.602 6.924 241 HB3 TYR 32 HB3 TYR 32 4.460 -6.427 5.807 242 HD1 TYR 32 HD1 TYR 32 7.598 -4.950 7.038 243 HD2 TYR 32 HD2 TYR 32 4.333 -4.418 4.291 244 HE1 TYR 32 HE1 TYR 32 8.863 -3.203 5.874 245 HE2 TYR 32 HE2 TYR 32 5.580 -2.642 3.115 246 HH TYR 32 HH TYR 32 8.122 -1.708 2.929 247 H ALA 33 HN ALA 33 2.161 -5.881 6.257 248 HA ALA 33 HA ALA 33 1.700 -3.350 5.137 249 HB1 ALA 33 HB1 ALA 33 -0.299 -5.605 5.544 250 HB2 ALA 33 HB2 ALA 33 -0.427 -4.285 4.365 251 HB3 ALA 33 HB3 ALA 33 0.876 -5.479 4.211 252 H ALA 34 HN ALA 34 0.802 -4.404 8.330 253 HA ALA 34 HA ALA 34 -1.346 -2.516 8.728 254 HB1 ALA 34 HB1 ALA 34 -0.831 -4.407 10.306 255 HB2 ALA 34 HB2 ALA 34 0.642 -3.533 10.767 256 HB3 ALA 34 HB3 ALA 34 -0.944 -2.810 11.087 257 H GLU 35 HN GLU 35 2.255 -2.280 8.903 258 HA GLU 35 HA GLU 35 2.500 0.192 10.224 259 HB2 GLU 35 HB2 GLU 35 4.255 -0.935 8.027 260 HB3 GLU 35 HB3 GLU 35 4.658 0.389 9.114 261 HG2 GLU 35 HG2 GLU 35 4.117 -2.489 9.976 262 HG3 GLU 35 HG3 GLU 35 5.680 -1.665 9.817 263 H VAL 36 HN VAL 36 2.181 -0.559 6.739 264 HA VAL 36 HA VAL 36 2.339 2.114 5.798 265 HB VAL 36 HB VAL 36 0.850 -0.243 4.490 266 HG11 VAL 36 HG11 VAL 36 2.373 2.095 3.236 267 HG12 VAL 36 HG12 VAL 36 1.444 0.823 2.395 268 HG13 VAL 36 HG13 VAL 36 0.618 2.016 3.396 269 HG21 VAL 36 HG21 VAL 36 3.053 -1.099 5.069 270 HG22 VAL 36 HG22 VAL 36 3.020 -0.731 3.342 271 HG23 VAL 36 HG23 VAL 36 3.833 0.377 4.460 272 H VAL 37 HN VAL 37 -0.464 0.110 6.836 273 HA VAL 37 HA VAL 37 -2.531 2.088 6.258 274 HB VAL 37 HB VAL 37 -2.464 -0.366 8.104 275 HG11 VAL 37 HG11 VAL 37 -4.300 0.830 8.777 276 HG12 VAL 37 HG12 VAL 37 -4.751 1.371 7.188 277 HG13 VAL 37 HG13 VAL 37 -4.989 -0.320 7.676 278 HG21 VAL 37 HG21 VAL 37 -3.727 -0.299 5.358 279 HG22 VAL 37 HG22 VAL 37 -2.035 -0.766 5.606 280 HG23 VAL 37 HG23 VAL 37 -3.292 -1.699 6.402 281 H LYS 38 HN LYS 38 -0.131 1.878 8.651 282 HA LYS 38 HA LYS 38 -1.577 3.760 10.410 283 HB2 LYS 38 HB2 LYS 38 0.121 1.438 10.852 284 HB3 LYS 38 HB3 LYS 38 0.844 2.879 11.635 285 HG2 LYS 38 HG2 LYS 38 -1.529 3.294 12.607 286 HG3 LYS 38 HG3 LYS 38 -1.958 1.715 11.916 287 HD2 LYS 38 HD2 LYS 38 -1.413 1.354 14.238 288 HD3 LYS 38 HD3 LYS 38 -0.102 0.686 13.286 289 HE2 LYS 38 HE2 LYS 38 0.769 1.871 15.205 290 HE3 LYS 38 HE3 LYS 38 1.265 2.707 13.742 291 HZ1 LYS 38 HZ1 LYS 38 -0.168 4.479 14.198 292 HZ2 LYS 38 HZ2 LYS 38 0.335 4.078 15.702 293 HZ3 LYS 38 HZ3 LYS 38 -1.142 3.604 15.149 294 H ALA 39 HN ALA 39 0.422 4.050 7.839 295 HA ALA 39 HA ALA 39 1.830 6.399 9.005 296 HB1 ALA 39 HB1 ALA 39 3.283 6.227 7.020 297 HB2 ALA 39 HB2 ALA 39 3.272 4.697 7.950 298 HB3 ALA 39 HB3 ALA 39 2.329 4.835 6.426 299 H ASP 40 HN ASP 40 -0.640 5.437 6.654 300 HA ASP 40 HA ASP 40 -0.577 7.966 5.206 301 HB2 ASP 40 HB2 ASP 40 -1.195 5.784 4.197 302 HB3 ASP 40 HB3 ASP 40 -2.570 5.715 5.232 303 H PHE 41 HN PHE 41 -0.723 9.265 7.187 304 HA PHE 41 HA PHE 41 -3.466 10.163 7.574 305 HB2 PHE 41 HB2 PHE 41 -1.578 9.855 9.926 306 HB3 PHE 41 HB3 PHE 41 -3.251 10.353 9.981 307 HD1 PHE 41 HD1 PHE 41 -4.871 8.297 8.828 308 HD2 PHE 41 HD2 PHE 41 -1.119 7.850 10.896 309 HE1 PHE 41 HE1 PHE 41 -5.489 5.960 9.489 310 HE2 PHE 41 HE2 PHE 41 -1.776 5.589 11.582 311 HZ PHE 41 HZ PHE 41 -3.969 4.646 10.925 312 H GLU 42 HN GLU 42 -3.357 12.370 8.455 313 HA GLU 42 HA GLU 42 -2.621 14.398 8.961 314 HB2 GLU 42 HB2 GLU 42 0.285 13.629 8.829 315 HB3 GLU 42 HB3 GLU 42 -0.481 14.914 9.738 316 HG2 GLU 42 HG2 GLU 42 -0.675 11.914 10.323 317 HG3 GLU 42 HG3 GLU 42 0.345 13.069 11.137 318 H GLU 43 HN GLU 43 -0.164 13.136 6.635 319 HA GLU 43 HA GLU 43 -0.386 15.427 4.853 320 HB2 GLU 43 HB2 GLU 43 1.779 14.342 5.087 321 HB3 GLU 43 HB3 GLU 43 1.043 12.759 4.777 322 HG2 GLU 43 HG2 GLU 43 2.044 13.214 2.764 323 HG3 GLU 43 HG3 GLU 43 0.405 13.651 2.460 324 H ALA 44 HN ALA 44 -2.118 15.560 3.702 325 HA ALA 44 HA ALA 44 -4.002 13.388 3.232 326 HB1 ALA 44 HB1 ALA 44 -4.780 15.685 3.557 327 HB2 ALA 44 HB2 ALA 44 -3.884 16.221 2.114 328 HB3 ALA 44 HB3 ALA 44 -5.260 15.099 1.953 329 H GLY 45 HN GLY 45 -4.746 13.031 0.818 330 HA2 GLY 45 HA2 GLY 45 -4.278 12.564 -1.409 331 HA3 GLY 45 HA1 GLY 45 -2.847 13.604 -1.316 332 H HIS 46 HN HIS 46 -0.976 12.442 -1.687 333 HA HIS 46 HA HIS 46 -0.487 10.003 -0.182 334 HB2 HIS 46 HB2 HIS 46 -0.095 8.605 -2.197 335 HB3 HIS 46 HB3 HIS 46 -1.781 9.003 -1.909 336 HD1 HIS 46 HD1 HIS 46 1.024 10.430 -4.214 337 HD2 HIS 46 HD2 HIS 46 -3.098 9.608 -3.989 338 HE1 HIS 46 HE1 HIS 46 0.086 10.921 -6.501 339 H GLU 47 HN GLU 47 0.845 12.444 -0.052 340 HA GLU 47 HA GLU 47 3.294 12.197 -1.676 341 HB2 GLU 47 HB2 GLU 47 2.144 14.173 0.180 342 HB3 GLU 47 HB3 GLU 47 3.866 13.887 0.467 343 HG2 GLU 47 HG2 GLU 47 3.748 15.655 -1.127 344 HG3 GLU 47 HG3 GLU 47 4.242 14.234 -2.035 345 H ASP 48 HN ASP 48 2.597 11.877 1.843 346 HA ASP 48 HA ASP 48 5.336 11.157 2.312 347 HB2 ASP 48 HB2 ASP 48 3.951 12.673 3.688 348 HB3 ASP 48 HB3 ASP 48 2.929 11.285 4.195 349 H VAL 49 HN VAL 49 2.390 9.170 2.091 350 HA VAL 49 HA VAL 49 3.501 6.809 3.259 351 HB VAL 49 HB VAL 49 1.626 6.902 0.840 352 HG11 VAL 49 HG11 VAL 49 2.507 4.639 1.250 353 HG12 VAL 49 HG12 VAL 49 2.118 4.774 2.982 354 HG13 VAL 49 HG13 VAL 49 0.824 4.713 1.772 355 HG21 VAL 49 HG21 VAL 49 0.614 8.205 2.666 356 HG22 VAL 49 HG22 VAL 49 -0.222 6.664 2.463 357 HG23 VAL 49 HG23 VAL 49 0.923 6.876 3.804 358 H MET 50 HN MET 50 4.166 8.436 0.159 359 HA MET 50 HA MET 50 5.402 6.168 -1.085 360 HB2 MET 50 HB2 MET 50 5.935 9.101 -1.627 361 HB3 MET 50 HB3 MET 50 6.386 7.768 -2.667 362 HG2 MET 50 HG2 MET 50 3.473 8.228 -1.960 363 HG3 MET 50 HG3 MET 50 4.275 9.179 -3.192 364 HE1 MET 50 HE1 MET 50 3.552 4.602 -3.696 365 HE2 MET 50 HE2 MET 50 4.961 5.132 -2.793 366 HE3 MET 50 HE3 MET 50 3.320 5.465 -2.160 367 H ARG 51 HN ARG 51 6.659 8.785 1.057 368 HA ARG 51 HA ARG 51 9.373 7.830 0.801 369 HB2 ARG 51 HB2 ARG 51 7.924 9.871 2.459 370 HB3 ARG 51 HB3 ARG 51 9.296 9.094 3.261 371 HG2 ARG 51 HG2 ARG 51 10.667 9.512 1.156 372 HG3 ARG 51 HG3 ARG 51 9.314 10.509 0.569 373 HD2 ARG 51 HD2 ARG 51 9.617 11.999 2.571 374 HD3 ARG 51 HD3 ARG 51 10.924 10.954 3.136 375 HE ARG 51 HE ARG 51 12.360 11.851 1.598 376 HH11 ARG 51 HH11 ARG 51 9.057 12.799 0.664 377 HH12 ARG 51 HH12 ARG 51 9.587 13.604 -0.788 378 HH21 ARG 51 HH21 ARG 51 12.996 12.915 -0.376 379 HH22 ARG 51 HH22 ARG 51 11.837 13.898 -1.201 380 H LYS 52 HN LYS 52 6.735 7.107 3.129 381 HA LYS 52 HA LYS 52 8.237 5.484 4.828 382 HB2 LYS 52 HB2 LYS 52 5.878 6.034 5.238 383 HB3 LYS 52 HB3 LYS 52 5.350 4.940 3.956 384 HG2 LYS 52 HG2 LYS 52 7.125 3.902 6.172 385 HG3 LYS 52 HG3 LYS 52 5.461 4.181 6.536 386 HD2 LYS 52 HD2 LYS 52 4.708 2.378 5.505 387 HD3 LYS 52 HD3 LYS 52 5.759 2.562 4.106 388 HE2 LYS 52 HE2 LYS 52 6.211 0.480 5.444 389 HE3 LYS 52 HE3 LYS 52 7.612 1.535 5.217 390 HZ1 LYS 52 HZ1 LYS 52 7.290 0.605 7.477 391 HZ2 LYS 52 HZ2 LYS 52 6.019 1.656 7.696 392 HZ3 LYS 52 HZ3 LYS 52 7.514 2.218 7.421 393 H VAL 53 HN VAL 53 6.766 4.507 1.694 394 HA VAL 53 HA VAL 53 7.840 1.809 2.078 395 HB VAL 53 HB VAL 53 5.618 2.301 1.069 396 HG11 VAL 53 HG11 VAL 53 7.164 3.233 -1.387 397 HG12 VAL 53 HG12 VAL 53 5.436 2.851 -1.330 398 HG13 VAL 53 HG13 VAL 53 6.062 4.196 -0.375 399 HG21 VAL 53 HG21 VAL 53 7.542 0.690 -0.629 400 HG22 VAL 53 HG22 VAL 53 6.632 0.135 0.807 401 HG23 VAL 53 HG23 VAL 53 5.792 0.611 -0.687 402 H LEU 54 HN LEU 54 8.754 4.673 0.111 403 HA LEU 54 HA LEU 54 10.640 3.252 -1.486 404 HB2 LEU 54 HB2 LEU 54 10.231 6.190 -0.849 405 HB3 LEU 54 HB3 LEU 54 11.543 5.666 -1.868 406 HG LEU 54 HG LEU 54 8.688 4.858 -2.491 407 HD11 LEU 54 HD11 LEU 54 10.166 7.276 -3.593 408 HD12 LEU 54 HD12 LEU 54 8.804 7.322 -2.427 409 HD13 LEU 54 HD13 LEU 54 8.547 6.713 -4.060 410 HD21 LEU 54 HD21 LEU 54 10.483 3.564 -3.644 411 HD22 LEU 54 HD22 LEU 54 11.176 5.080 -4.241 412 HD23 LEU 54 HD23 LEU 54 9.563 4.571 -4.771 413 H GLY 55 HN GLY 55 11.005 4.995 1.637 414 HA2 GLY 55 HA2 GLY 55 13.850 4.651 1.832 415 HA3 GLY 55 HA1 GLY 55 12.715 4.866 3.176 416 H ASP 56 HN ASP 56 11.067 2.674 3.076 417 HA ASP 56 HA ASP 56 12.778 0.638 4.116 418 HB2 ASP 56 HB2 ASP 56 9.819 0.957 3.662 419 HB3 ASP 56 HB3 ASP 56 10.414 -0.656 3.855 420 H LEU 57 HN LEU 57 11.879 1.206 0.843 421 HA LEU 57 HA LEU 57 12.245 -1.594 -0.009 422 HB2 LEU 57 HB2 LEU 57 11.749 1.038 -1.415 423 HB3 LEU 57 HB3 LEU 57 12.469 -0.267 -2.323 424 HG LEU 57 HG LEU 57 9.843 -0.587 -0.838 425 HD11 LEU 57 HD11 LEU 57 10.357 0.012 -3.765 426 HD12 LEU 57 HD12 LEU 57 9.665 1.140 -2.576 427 HD13 LEU 57 HD13 LEU 57 8.768 -0.326 -3.022 428 HD21 LEU 57 HD21 LEU 57 10.995 -2.253 -3.118 429 HD22 LEU 57 HD22 LEU 57 9.496 -2.549 -2.222 430 HD23 LEU 57 HD23 LEU 57 11.049 -2.741 -1.411 431 H ASP 58 HN ASP 58 14.322 1.198 0.657 432 HA ASP 58 HA ASP 58 16.554 1.500 0.321 433 HB2 ASP 58 HB2 ASP 58 16.351 -0.471 1.877 434 HB3 ASP 58 HB3 ASP 58 16.602 -1.535 0.489 435 H GLY 59 HN GLY 59 15.060 1.471 -2.104 436 HA2 GLY 59 HA2 GLY 59 15.691 1.861 -4.297 437 HA3 GLY 59 HA1 GLY 59 17.156 0.912 -4.079 438 H LYS 60 HN LYS 60 14.620 -1.049 -2.904 439 HA LYS 60 HA LYS 60 15.258 -2.962 -4.709 440 HB2 LYS 60 HB2 LYS 60 13.247 -2.610 -2.629 441 HB3 LYS 60 HB3 LYS 60 12.961 -3.909 -3.724 442 HG2 LYS 60 HG2 LYS 60 15.195 -4.840 -3.291 443 HG3 LYS 60 HG3 LYS 60 15.510 -3.564 -2.095 444 HD2 LYS 60 HD2 LYS 60 13.605 -4.356 -0.733 445 HD3 LYS 60 HD3 LYS 60 13.209 -5.556 -1.975 446 HE2 LYS 60 HE2 LYS 60 14.356 -6.785 -0.326 447 HE3 LYS 60 HE3 LYS 60 15.500 -6.565 -1.644 448 HZ1 LYS 60 HZ1 LYS 60 16.564 -6.141 0.409 449 HZ2 LYS 60 HZ2 LYS 60 15.432 -5.046 0.894 450 HZ3 LYS 60 HZ3 LYS 60 16.425 -4.687 -0.358 451 H ARG 61 HN ARG 61 12.830 -0.522 -5.321 452 HA ARG 61 HA ARG 61 12.445 -1.730 -7.894 453 HB2 ARG 61 HB2 ARG 61 10.020 -1.161 -6.151 454 HB3 ARG 61 HB3 ARG 61 9.923 -1.300 -7.906 455 HG2 ARG 61 HG2 ARG 61 10.821 -3.487 -6.003 456 HG3 ARG 61 HG3 ARG 61 9.233 -3.366 -6.738 457 HD2 ARG 61 HD2 ARG 61 10.115 -3.795 -8.949 458 HD3 ARG 61 HD3 ARG 61 11.775 -3.627 -8.394 459 HE ARG 61 HE ARG 61 11.780 -5.702 -7.488 460 HH11 ARG 61 HH11 ARG 61 8.459 -5.081 -8.745 461 HH12 ARG 61 HH12 ARG 61 7.886 -6.634 -8.191 462 HH21 ARG 61 HH21 ARG 61 11.098 -7.720 -7.088 463 HH22 ARG 61 HH22 ARG 61 9.483 -8.288 -7.423 464 HA PRO 62 HA PRO 62 12.993 2.526 -8.855 465 HB2 PRO 62 HB2 PRO 62 11.470 2.808 -11.188 466 HB3 PRO 62 HB3 PRO 62 13.118 2.155 -11.121 467 HG2 PRO 62 HG2 PRO 62 10.512 0.675 -11.245 468 HG3 PRO 62 HG3 PRO 62 12.051 0.273 -12.058 469 HD2 PRO 62 HD2 PRO 62 11.215 -1.012 -9.811 470 HD3 PRO 62 HD3 PRO 62 12.946 -0.679 -10.107 471 H GLU 63 HN GLU 63 11.973 4.518 -8.529 472 HA GLU 63 HA GLU 63 9.627 4.518 -7.006 473 HB2 GLU 63 HB2 GLU 63 11.325 6.231 -6.899 474 HB3 GLU 63 HB3 GLU 63 10.940 6.800 -8.528 475 HG2 GLU 63 HG2 GLU 63 8.819 7.626 -7.884 476 HG3 GLU 63 HG3 GLU 63 8.782 6.685 -6.399 477 H ALA 64 HN ALA 64 10.007 4.898 -10.501 478 HA ALA 64 HA ALA 64 7.351 5.630 -11.184 479 HB1 ALA 64 HB1 ALA 64 9.293 3.781 -12.648 480 HB2 ALA 64 HB2 ALA 64 7.788 4.419 -13.327 481 HB3 ALA 64 HB3 ALA 64 9.097 5.533 -12.892 482 H GLU 65 HN GLU 65 8.656 2.260 -10.653 483 HA GLU 65 HA GLU 65 6.142 1.002 -11.125 484 HB2 GLU 65 HB2 GLU 65 8.383 -0.071 -11.297 485 HB3 GLU 65 HB3 GLU 65 8.591 0.070 -9.539 486 HG2 GLU 65 HG2 GLU 65 6.556 -1.347 -9.221 487 HG3 GLU 65 HG3 GLU 65 6.395 -1.419 -10.991 488 H VAL 66 HN VAL 66 7.904 1.987 -8.157 489 HA VAL 66 HA VAL 66 6.071 0.888 -6.315 490 HB VAL 66 HB VAL 66 7.965 3.260 -6.038 491 HG11 VAL 66 HG11 VAL 66 6.401 3.296 -4.149 492 HG12 VAL 66 HG12 VAL 66 6.649 1.558 -3.870 493 HG13 VAL 66 HG13 VAL 66 7.974 2.708 -3.604 494 HG21 VAL 66 HG21 VAL 66 9.034 1.058 -6.717 495 HG22 VAL 66 HG22 VAL 66 9.559 1.671 -5.164 496 HG23 VAL 66 HG23 VAL 66 8.362 0.346 -5.254 497 H ARG 67 HN ARG 67 6.257 4.304 -7.536 498 HA ARG 67 HA ARG 67 3.967 5.053 -5.967 499 HB2 ARG 67 HB2 ARG 67 4.179 7.179 -6.828 500 HB3 ARG 67 HB3 ARG 67 5.833 6.568 -6.820 501 HG2 ARG 67 HG2 ARG 67 5.276 5.963 -9.354 502 HG3 ARG 67 HG3 ARG 67 3.968 7.134 -9.141 503 HD2 ARG 67 HD2 ARG 67 6.953 7.501 -9.042 504 HD3 ARG 67 HD3 ARG 67 5.763 8.339 -10.034 505 HE ARG 67 HE ARG 67 5.185 9.082 -7.420 506 HH11 ARG 67 HH11 ARG 67 7.832 9.386 -9.761 507 HH12 ARG 67 HH12 ARG 67 8.554 10.760 -8.995 508 HH21 ARG 67 HH21 ARG 67 5.874 11.015 -6.599 509 HH22 ARG 67 HH22 ARG 67 7.372 11.777 -7.115 510 H ALA 68 HN ALA 68 4.344 4.048 -9.433 511 HA ALA 68 HA ALA 68 1.596 4.501 -10.003 512 HB1 ALA 68 HB1 ALA 68 3.288 4.221 -11.756 513 HB2 ALA 68 HB2 ALA 68 3.496 2.505 -11.290 514 HB3 ALA 68 HB3 ALA 68 1.954 3.076 -11.972 515 H LYS 69 HN LYS 69 3.274 1.714 -8.536 516 HA LYS 69 HA LYS 69 1.167 -0.138 -8.596 517 HB2 LYS 69 HB2 LYS 69 3.590 -0.451 -7.663 518 HB3 LYS 69 HB3 LYS 69 2.984 0.268 -6.176 519 HG2 LYS 69 HG2 LYS 69 2.744 -1.983 -5.741 520 HG3 LYS 69 HG3 LYS 69 1.123 -1.599 -6.316 521 HD2 LYS 69 HD2 LYS 69 2.030 -2.284 -8.678 522 HD3 LYS 69 HD3 LYS 69 3.433 -2.902 -7.808 523 HE2 LYS 69 HE2 LYS 69 2.367 -4.826 -7.503 524 HE3 LYS 69 HE3 LYS 69 1.267 -4.000 -6.399 525 HZ1 LYS 69 HZ1 LYS 69 0.943 -4.315 -9.316 526 HZ2 LYS 69 HZ2 LYS 69 -0.141 -3.530 -8.338 527 HZ3 LYS 69 HZ3 LYS 69 0.139 -5.164 -8.178 528 H TYR 70 HN TYR 70 1.916 2.410 -6.209 529 HA TYR 70 HA TYR 70 -0.315 1.921 -4.496 530 HB2 TYR 70 HB2 TYR 70 1.873 2.898 -3.841 531 HB3 TYR 70 HB3 TYR 70 1.503 4.341 -4.767 532 HD1 TYR 70 HD2 TYR 70 0.562 2.341 -1.744 533 HD2 TYR 70 HD1 TYR 70 -0.169 5.977 -3.991 534 HE1 TYR 70 HE2 TYR 70 -0.473 3.350 0.213 535 HE2 TYR 70 HE1 TYR 70 -1.429 6.869 -2.061 536 HH TYR 70 HH TYR 70 -1.683 6.704 0.347 537 H GLU 71 HN GLU 71 0.402 4.702 -6.698 538 HA GLU 71 HA GLU 71 -2.039 6.046 -6.351 539 HB2 GLU 71 HB2 GLU 71 -0.110 5.972 -8.720 540 HB3 GLU 71 HB3 GLU 71 -1.478 7.083 -8.593 541 HG2 GLU 71 HG2 GLU 71 -0.550 7.923 -6.417 542 HG3 GLU 71 HG3 GLU 71 0.876 6.922 -6.656 543 H GLY 72 HN GLY 72 -1.147 3.362 -8.539 544 HA2 GLY 72 HA2 GLY 72 -3.530 3.279 -10.102 545 HA3 GLY 72 HA1 GLY 72 -2.339 2.005 -9.833 546 H LEU 73 HN LEU 73 -2.571 1.975 -6.974 547 HA LEU 73 HA LEU 73 -4.228 -0.200 -6.891 548 HB2 LEU 73 HB2 LEU 73 -2.202 0.835 -5.356 549 HB3 LEU 73 HB3 LEU 73 -3.526 1.127 -4.301 550 HG LEU 73 HG LEU 73 -4.008 -1.300 -4.147 551 HD11 LEU 73 HD11 LEU 73 -1.563 -1.677 -5.973 552 HD12 LEU 73 HD12 LEU 73 -3.224 -2.017 -6.475 553 HD13 LEU 73 HD13 LEU 73 -2.494 -2.954 -5.181 554 HD21 LEU 73 HD21 LEU 73 -2.267 -0.240 -2.699 555 HD22 LEU 73 HD22 LEU 73 -1.040 -0.425 -3.949 556 HD23 LEU 73 HD23 LEU 73 -1.674 -1.847 -3.177 557 H MET 74 HN MET 74 -5.290 3.068 -6.413 558 HA MET 74 HA MET 74 -7.428 2.703 -4.611 559 HB2 MET 74 HB2 MET 74 -6.716 4.864 -5.645 560 HB3 MET 74 HB3 MET 74 -7.432 4.348 -7.177 561 HG2 MET 74 HG2 MET 74 -8.983 5.770 -6.015 562 HG3 MET 74 HG3 MET 74 -9.646 4.152 -6.042 563 HE1 MET 74 HE1 MET 74 -7.230 6.326 -4.022 564 HE2 MET 74 HE2 MET 74 -8.791 7.165 -4.099 565 HE3 MET 74 HE3 MET 74 -8.146 6.611 -2.530 566 H ALA 75 HN ALA 75 -7.267 2.122 -8.138 567 HA ALA 75 HA ALA 75 -9.952 1.199 -8.486 568 HB1 ALA 75 HB1 ALA 75 -7.384 0.773 -10.098 569 HB2 ALA 75 HB2 ALA 75 -8.999 0.302 -10.641 570 HB3 ALA 75 HB3 ALA 75 -8.642 2.012 -10.358 571 H VAL 76 HN VAL 76 -6.845 -0.514 -8.117 572 HA VAL 76 HA VAL 76 -7.802 -3.139 -8.234 573 HB VAL 76 HB VAL 76 -5.447 -2.162 -6.582 574 HG11 VAL 76 HG11 VAL 76 -4.397 -4.294 -7.187 575 HG12 VAL 76 HG12 VAL 76 -5.951 -4.581 -6.392 576 HG13 VAL 76 HG13 VAL 76 -5.817 -4.739 -8.155 577 HG21 VAL 76 HG21 VAL 76 -5.231 -1.089 -8.809 578 HG22 VAL 76 HG22 VAL 76 -4.064 -2.389 -8.647 579 HG23 VAL 76 HG23 VAL 76 -5.540 -2.647 -9.597 580 H ALA 77 HN ALA 77 -7.301 -1.011 -5.389 581 HA ALA 77 HA ALA 77 -7.914 -2.805 -3.372 582 HB1 ALA 77 HB1 ALA 77 -8.453 -0.742 -2.037 583 HB2 ALA 77 HB2 ALA 77 -6.914 -0.654 -2.905 584 HB3 ALA 77 HB3 ALA 77 -8.337 0.210 -3.508 585 H LYS 78 HN LYS 78 -10.016 -0.538 -5.197 586 HA LYS 78 HA LYS 78 -12.483 -1.202 -3.896 587 HB2 LYS 78 HB2 LYS 78 -11.795 0.052 -6.576 588 HB3 LYS 78 HB3 LYS 78 -13.449 -0.335 -6.139 589 HG2 LYS 78 HG2 LYS 78 -13.195 1.098 -4.072 590 HG3 LYS 78 HG3 LYS 78 -11.591 1.556 -4.648 591 HD2 LYS 78 HD2 LYS 78 -13.036 3.301 -5.394 592 HD3 LYS 78 HD3 LYS 78 -12.692 2.319 -6.809 593 HE2 LYS 78 HE2 LYS 78 -14.971 2.624 -7.008 594 HE3 LYS 78 HE3 LYS 78 -14.929 1.044 -6.213 595 HZ1 LYS 78 HZ1 LYS 78 -15.594 2.026 -4.202 596 HZ2 LYS 78 HZ2 LYS 78 -16.476 2.829 -5.315 597 HZ3 LYS 78 HZ3 LYS 78 -15.172 3.558 -4.663 598 H ALA 79 HN ALA 79 -11.020 -2.433 -6.949 599 HA ALA 79 HA ALA 79 -13.200 -4.096 -7.620 600 HB1 ALA 79 HB1 ALA 79 -10.233 -4.474 -8.276 601 HB2 ALA 79 HB2 ALA 79 -11.621 -5.241 -9.089 602 HB3 ALA 79 HB3 ALA 79 -11.394 -3.487 -9.212 603 H GLN 80 HN GLN 80 -10.178 -4.823 -5.783 604 HA GLN 80 HA GLN 80 -10.813 -7.551 -5.343 605 HB2 GLN 80 HB2 GLN 80 -9.056 -5.610 -3.788 606 HB3 GLN 80 HB3 GLN 80 -9.216 -7.334 -3.416 607 HG2 GLN 80 HG2 GLN 80 -8.408 -7.887 -5.726 608 HG3 GLN 80 HG3 GLN 80 -8.115 -6.176 -6.022 609 HE21 GLN 80 HE21 GLN 80 -5.815 -7.212 -6.350 610 HE22 GLN 80 HE22 GLN 80 -4.814 -7.309 -4.899 611 H LEU 81 HN LEU 81 -11.900 -4.662 -3.517 612 HA LEU 81 HA LEU 81 -12.872 -6.148 -1.231 613 HB2 LEU 81 HB2 LEU 81 -13.643 -3.497 -2.482 614 HB3 LEU 81 HB3 LEU 81 -14.462 -4.116 -1.064 615 HG LEU 81 HG LEU 81 -11.471 -3.729 -1.105 616 HD11 LEU 81 HD11 LEU 81 -13.576 -1.725 -0.255 617 HD12 LEU 81 HD12 LEU 81 -12.585 -1.626 -1.734 618 HD13 LEU 81 HD13 LEU 81 -11.796 -1.534 -0.150 619 HD21 LEU 81 HD21 LEU 81 -12.289 -5.101 0.745 620 HD22 LEU 81 HD22 LEU 81 -13.498 -3.878 1.165 621 HD23 LEU 81 HD23 LEU 81 -11.769 -3.532 1.361 622 H MET 82 HN MET 82 -14.250 -5.171 -4.365 623 HA MET 82 HA MET 82 -16.915 -6.135 -3.801 624 HB2 MET 82 HB2 MET 82 -15.507 -5.642 -6.468 625 HB3 MET 82 HB3 MET 82 -17.227 -5.969 -6.271 626 HG2 MET 82 HG2 MET 82 -17.502 -3.911 -4.953 627 HG3 MET 82 HG3 MET 82 -15.772 -3.571 -5.061 628 HE1 MET 82 HE1 MET 82 -16.496 -0.702 -7.217 629 HE2 MET 82 HE2 MET 82 -17.046 -1.215 -5.596 630 HE3 MET 82 HE3 MET 82 -15.369 -1.494 -6.086 631 H ASP 83 HN ASP 83 -14.002 -7.522 -5.357 632 HA ASP 83 HA ASP 83 -15.330 -9.963 -6.095 633 HB2 ASP 83 HB2 ASP 83 -13.509 -9.065 -7.429 634 HB3 ASP 83 HB3 ASP 83 -12.418 -9.142 -6.045 635 H GLU 84 HN GLU 84 -13.267 -9.036 -3.292 636 HA GLU 84 HA GLU 84 -13.044 -11.737 -2.238 637 HB2 GLU 84 HB2 GLU 84 -12.792 -8.936 -1.087 638 HB3 GLU 84 HB3 GLU 84 -12.842 -10.311 -0.013 639 HG2 GLU 84 HG2 GLU 84 -10.871 -11.300 -1.167 640 HG3 GLU 84 HG3 GLU 84 -10.672 -9.774 -2.027 641 H LEU 85 HN LEU 85 -15.703 -9.612 -2.508 642 HA LEU 85 HA LEU 85 -16.775 -10.009 0.129 643 HB2 LEU 85 HB2 LEU 85 -17.377 -8.332 -2.075 644 HB3 LEU 85 HB3 LEU 85 -18.846 -9.295 -1.835 645 HG LEU 85 HG LEU 85 -17.353 -7.889 0.436 646 HD11 LEU 85 HD11 LEU 85 -19.617 -6.818 -1.257 647 HD12 LEU 85 HD12 LEU 85 -17.933 -6.209 -1.134 648 HD13 LEU 85 HD13 LEU 85 -19.035 -6.082 0.255 649 HD21 LEU 85 HD21 LEU 85 -19.404 -8.053 1.678 650 HD22 LEU 85 HD22 LEU 85 -18.977 -9.669 1.114 651 HD23 LEU 85 HD23 LEU 85 -20.256 -8.774 0.290 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -17.505 8.536 4.929 2 HA2 GLY 1 HA2 GLY 1 -19.239 8.036 3.315 3 HA3 GLY 1 HA1 GLY 1 -18.211 8.763 2.066 4 H MET 2 HN MET 2 -18.093 6.866 0.783 5 HA MET 2 HA MET 2 -17.219 4.279 1.726 6 HB2 MET 2 HB2 MET 2 -17.254 5.648 -0.998 7 HB3 MET 2 HB3 MET 2 -16.611 4.026 -0.755 8 HG2 MET 2 HG2 MET 2 -18.811 3.751 -1.515 9 HG3 MET 2 HG3 MET 2 -18.805 3.307 0.182 10 HE1 MET 2 HE1 MET 2 -21.334 3.699 -1.614 11 HE2 MET 2 HE2 MET 2 -21.414 3.269 0.103 12 HE3 MET 2 HE3 MET 2 -22.428 4.587 -0.526 13 H GLN 3 HN GLN 3 -15.594 7.213 1.141 14 HA GLN 3 HA GLN 3 -13.028 6.638 0.387 15 HB2 GLN 3 HB2 GLN 3 -14.663 8.831 1.344 16 HB3 GLN 3 HB3 GLN 3 -13.142 8.929 2.193 17 HG2 GLN 3 HG2 GLN 3 -13.249 10.223 0.044 18 HG3 GLN 3 HG3 GLN 3 -11.916 9.076 0.161 19 HE21 GLN 3 HE21 GLN 3 -11.546 8.422 -1.912 20 HE22 GLN 3 HE22 GLN 3 -12.749 7.954 -3.098 21 H PHE 4 HN PHE 4 -13.965 4.977 2.893 22 HA PHE 4 HA PHE 4 -11.431 5.313 4.427 23 HB2 PHE 4 HB2 PHE 4 -14.173 5.534 5.337 24 HB3 PHE 4 HB3 PHE 4 -13.380 4.186 6.141 25 HD1 PHE 4 HD2 PHE 4 -11.957 7.518 5.013 26 HD2 PHE 4 HD1 PHE 4 -12.946 4.927 8.312 27 HE1 PHE 4 HE2 PHE 4 -10.856 9.066 6.523 28 HE2 PHE 4 HE1 PHE 4 -11.932 6.610 9.884 29 HZ PHE 4 HZ PHE 4 -10.870 8.664 8.997 30 H LYS 5 HN LYS 5 -14.230 3.096 4.032 31 HA LYS 5 HA LYS 5 -12.750 0.738 4.366 32 HB2 LYS 5 HB2 LYS 5 -15.298 1.427 2.906 33 HB3 LYS 5 HB3 LYS 5 -14.600 -0.168 2.620 34 HG2 LYS 5 HG2 LYS 5 -15.228 0.949 5.391 35 HG3 LYS 5 HG3 LYS 5 -16.270 -0.103 4.446 36 HD2 LYS 5 HD2 LYS 5 -15.276 -1.896 5.280 37 HD3 LYS 5 HD3 LYS 5 -13.799 -1.484 4.439 38 HE2 LYS 5 HE2 LYS 5 -12.736 -0.813 6.300 39 HE3 LYS 5 HE3 LYS 5 -14.127 0.112 6.894 40 HZ1 LYS 5 HZ1 LYS 5 -13.592 -2.759 7.278 41 HZ2 LYS 5 HZ2 LYS 5 -15.099 -2.134 7.506 42 HZ3 LYS 5 HZ3 LYS 5 -13.843 -1.637 8.427 43 H ALA 6 HN ALA 6 -13.273 2.711 1.429 44 HA ALA 6 HA ALA 6 -11.902 0.759 -0.274 45 HB1 ALA 6 HB1 ALA 6 -13.945 2.004 -1.016 46 HB2 ALA 6 HB2 ALA 6 -13.027 3.532 -0.880 47 HB3 ALA 6 HB3 ALA 6 -12.550 2.303 -2.065 48 H GLU 7 HN GLU 7 -10.692 3.151 1.903 49 HA GLU 7 HA GLU 7 -8.538 4.007 0.157 50 HB2 GLU 7 HB2 GLU 7 -10.022 5.673 0.919 51 HB3 GLU 7 HB3 GLU 7 -10.198 4.951 2.519 52 HG2 GLU 7 HG2 GLU 7 -8.386 5.783 3.333 53 HG3 GLU 7 HG3 GLU 7 -7.436 5.658 1.838 54 H ALA 8 HN ALA 8 -9.368 2.672 3.410 55 HA ALA 8 HA ALA 8 -6.738 2.079 4.258 56 HB1 ALA 8 HB1 ALA 8 -9.333 0.556 4.824 57 HB2 ALA 8 HB2 ALA 8 -7.818 0.430 5.747 58 HB3 ALA 8 HB3 ALA 8 -8.701 1.962 5.718 59 H ARG 9 HN ARG 9 -9.004 0.058 2.262 60 HA ARG 9 HA ARG 9 -7.197 -2.147 2.115 61 HB2 ARG 9 HB2 ARG 9 -9.596 -2.321 1.580 62 HB3 ARG 9 HB3 ARG 9 -9.389 -1.291 0.163 63 HG2 ARG 9 HG2 ARG 9 -9.549 -3.700 -0.375 64 HG3 ARG 9 HG3 ARG 9 -8.055 -2.994 -0.960 65 HD2 ARG 9 HD2 ARG 9 -6.720 -4.185 0.503 66 HD3 ARG 9 HD3 ARG 9 -7.959 -4.276 1.749 67 HE ARG 9 HE ARG 9 -7.581 -6.096 -0.525 68 HH11 ARG 9 HH11 ARG 9 -9.861 -5.096 2.137 69 HH12 ARG 9 HH12 ARG 9 -10.677 -6.595 2.068 70 HH21 ARG 9 HH21 ARG 9 -8.596 -8.101 -0.328 71 HH22 ARG 9 HH22 ARG 9 -9.931 -8.305 0.739 72 H ARG 10 HN ARG 10 -7.271 0.886 0.337 73 HA ARG 10 HA ARG 10 -5.603 0.156 -1.916 74 HB2 ARG 10 HB2 ARG 10 -7.130 2.304 -1.395 75 HB3 ARG 10 HB3 ARG 10 -5.663 2.898 -0.617 76 HG2 ARG 10 HG2 ARG 10 -4.685 1.992 -3.004 77 HG3 ARG 10 HG3 ARG 10 -6.295 2.470 -3.499 78 HD2 ARG 10 HD2 ARG 10 -4.292 4.243 -2.016 79 HD3 ARG 10 HD3 ARG 10 -4.673 4.348 -3.739 80 HE ARG 10 HE ARG 10 -7.131 4.617 -2.670 81 HH11 ARG 10 HH11 ARG 10 -4.111 6.379 -1.837 82 HH12 ARG 10 HH12 ARG 10 -4.959 7.866 -1.582 83 HH21 ARG 10 HH21 ARG 10 -8.183 6.448 -2.001 84 HH22 ARG 10 HH22 ARG 10 -7.322 7.888 -1.599 85 H ASN 11 HN ASN 11 -4.898 1.879 1.159 86 HA ASN 11 HA ASN 11 -2.112 1.697 0.788 87 HB2 ASN 11 HB2 ASN 11 -3.670 2.121 3.378 88 HB3 ASN 11 HB3 ASN 11 -1.942 2.406 3.134 89 HD21 ASN 11 HD21 ASN 11 -4.235 4.558 3.719 90 HD22 ASN 11 HD22 ASN 11 -4.018 5.573 2.335 91 H LYS 12 HN LYS 12 -4.289 -0.596 2.528 92 HA LYS 12 HA LYS 12 -2.253 -2.268 3.573 93 HB2 LYS 12 HB2 LYS 12 -4.711 -2.508 4.033 94 HB3 LYS 12 HB3 LYS 12 -4.922 -3.188 2.410 95 HG2 LYS 12 HG2 LYS 12 -3.344 -5.046 2.984 96 HG3 LYS 12 HG3 LYS 12 -3.102 -4.328 4.570 97 HD2 LYS 12 HD2 LYS 12 -5.768 -4.569 4.705 98 HD3 LYS 12 HD3 LYS 12 -5.464 -5.803 3.470 99 HE2 LYS 12 HE2 LYS 12 -3.658 -6.691 5.154 100 HE3 LYS 12 HE3 LYS 12 -4.420 -5.627 6.326 101 HZ1 LYS 12 HZ1 LYS 12 -6.535 -6.847 5.764 102 HZ2 LYS 12 HZ2 LYS 12 -5.399 -7.657 6.615 103 HZ3 LYS 12 HZ3 LYS 12 -5.572 -8.018 5.051 104 H LEU 13 HN LEU 13 -3.757 -2.311 0.291 105 HA LEU 13 HA LEU 13 -2.374 -4.642 -0.539 106 HB2 LEU 13 HB2 LEU 13 -3.774 -2.403 -2.005 107 HB3 LEU 13 HB3 LEU 13 -2.765 -3.547 -2.897 108 HG LEU 13 HG LEU 13 -5.197 -4.310 -1.271 109 HD11 LEU 13 HD11 LEU 13 -6.145 -4.788 -3.462 110 HD12 LEU 13 HD12 LEU 13 -4.616 -4.357 -4.267 111 HD13 LEU 13 HD13 LEU 13 -5.562 -3.110 -3.435 112 HD21 LEU 13 HD21 LEU 13 -4.652 -6.505 -2.681 113 HD22 LEU 13 HD22 LEU 13 -3.902 -6.231 -1.119 114 HD23 LEU 13 HD23 LEU 13 -2.997 -5.908 -2.626 115 H MET 14 HN MET 14 -1.285 -1.098 -0.936 116 HA MET 14 HA MET 14 0.948 -1.769 -2.388 117 HB2 MET 14 HB2 MET 14 0.303 0.480 -2.106 118 HB3 MET 14 HB3 MET 14 0.350 0.392 -0.349 119 HG2 MET 14 HG2 MET 14 2.233 1.653 -1.386 120 HG3 MET 14 HG3 MET 14 2.688 0.394 -0.275 121 HE1 MET 14 HE1 MET 14 2.617 1.436 -4.108 122 HE2 MET 14 HE2 MET 14 3.905 2.153 -3.111 123 HE3 MET 14 HE3 MET 14 4.304 1.005 -4.416 124 H GLY 15 HN GLY 15 0.603 -1.975 1.203 125 HA2 GLY 15 HA2 GLY 15 3.334 -2.576 1.663 126 HA3 GLY 15 HA1 GLY 15 2.021 -3.009 2.749 127 H LEU 16 HN LEU 16 0.786 -4.730 0.392 128 HA LEU 16 HA LEU 16 2.207 -7.154 1.107 129 HB2 LEU 16 HB2 LEU 16 -0.072 -6.503 -0.792 130 HB3 LEU 16 HB3 LEU 16 0.596 -8.112 -0.668 131 HG LEU 16 HG LEU 16 -0.421 -6.617 1.782 132 HD11 LEU 16 HD11 LEU 16 -2.211 -6.790 0.145 133 HD12 LEU 16 HD12 LEU 16 -2.516 -7.814 1.531 134 HD13 LEU 16 HD13 LEU 16 -1.949 -8.551 0.009 135 HD21 LEU 16 HD21 LEU 16 -0.617 -8.984 2.674 136 HD22 LEU 16 HD22 LEU 16 1.042 -8.517 2.320 137 HD23 LEU 16 HD23 LEU 16 0.146 -9.559 1.200 138 H TRP 17 HN TRP 17 2.092 -5.066 -1.825 139 HA TRP 17 HA TRP 17 3.814 -6.805 -3.397 140 HB2 TRP 17 HB2 TRP 17 2.525 -5.007 -4.501 141 HB3 TRP 17 HB3 TRP 17 3.340 -3.795 -3.524 142 HD1 TRP 17 HD1 TRP 17 4.296 -6.432 -6.220 143 HE1 TRP 17 HE1 TRP 17 6.385 -5.645 -7.463 144 HE3 TRP 17 HE3 TRP 17 5.127 -2.087 -3.700 145 HZ2 TRP 17 HZ2 TRP 17 8.026 -3.271 -7.554 146 HZ3 TRP 17 HZ3 TRP 17 6.967 -0.563 -4.364 147 HH2 TRP 17 HH2 TRP 17 8.414 -1.134 -6.324 148 H VAL 18 HN VAL 18 4.412 -4.040 -1.140 149 HA VAL 18 HA VAL 18 7.209 -3.963 -1.472 150 HB VAL 18 HB VAL 18 5.320 -3.203 0.782 151 HG11 VAL 18 HG11 VAL 18 7.546 -3.525 1.772 152 HG12 VAL 18 HG12 VAL 18 8.263 -2.519 0.503 153 HG13 VAL 18 HG13 VAL 18 7.119 -1.824 1.675 154 HG21 VAL 18 HG21 VAL 18 5.616 -0.948 -0.056 155 HG22 VAL 18 HG22 VAL 18 6.814 -1.485 -1.256 156 HG23 VAL 18 HG23 VAL 18 5.113 -1.976 -1.389 157 H ALA 19 HN ALA 19 5.217 -5.727 0.994 158 HA ALA 19 HA ALA 19 7.233 -6.986 2.393 159 HB1 ALA 19 HB1 ALA 19 5.509 -8.711 2.843 160 HB2 ALA 19 HB2 ALA 19 4.878 -7.064 3.022 161 HB3 ALA 19 HB3 ALA 19 4.491 -8.034 1.579 162 H GLU 20 HN GLU 20 5.773 -8.079 -0.756 163 HA GLU 20 HA GLU 20 7.282 -10.498 -0.838 164 HB2 GLU 20 HB2 GLU 20 5.198 -10.258 -1.979 165 HB3 GLU 20 HB3 GLU 20 5.774 -8.874 -2.920 166 HG2 GLU 20 HG2 GLU 20 7.341 -10.222 -4.118 167 HG3 GLU 20 HG3 GLU 20 7.019 -11.643 -3.108 168 H VAL 21 HN VAL 21 7.831 -7.246 -2.213 169 HA VAL 21 HA VAL 21 10.303 -7.887 -3.515 170 HB VAL 21 HB VAL 21 9.108 -5.290 -2.465 171 HG11 VAL 21 HG11 VAL 21 11.557 -4.997 -2.544 172 HG12 VAL 21 HG12 VAL 21 11.581 -5.574 -4.222 173 HG13 VAL 21 HG13 VAL 21 10.739 -4.055 -3.776 174 HG21 VAL 21 HG21 VAL 21 9.437 -6.404 -5.287 175 HG22 VAL 21 HG22 VAL 21 7.922 -6.343 -4.381 176 HG23 VAL 21 HG23 VAL 21 8.701 -4.837 -4.853 177 H LEU 22 HN LEU 22 9.526 -7.111 -0.133 178 HA LEU 22 HA LEU 22 12.341 -7.051 0.699 179 HB2 LEU 22 HB2 LEU 22 9.703 -7.101 2.211 180 HB3 LEU 22 HB3 LEU 22 11.266 -7.077 3.012 181 HG LEU 22 HG LEU 22 10.355 -4.888 1.097 182 HD11 LEU 22 HD11 LEU 22 9.871 -3.571 3.103 183 HD12 LEU 22 HD12 LEU 22 10.279 -4.961 4.138 184 HD13 LEU 22 HD13 LEU 22 8.869 -5.038 3.070 185 HD21 LEU 22 HD21 LEU 22 12.150 -3.576 2.210 186 HD22 LEU 22 HD22 LEU 22 12.792 -4.973 1.345 187 HD23 LEU 22 HD23 LEU 22 12.638 -5.016 3.118 188 H GLY 23 HN GLY 23 10.404 -9.570 -0.349 189 HA2 GLY 23 HA2 GLY 23 10.799 -11.826 -0.282 190 HA3 GLY 23 HA1 GLY 23 12.240 -11.504 0.685 191 H LYS 24 HN LYS 24 9.194 -10.276 1.889 192 HA LYS 24 HA LYS 24 9.127 -12.148 4.168 193 HB2 LYS 24 HB2 LYS 24 7.230 -9.980 3.163 194 HB3 LYS 24 HB3 LYS 24 6.960 -10.908 4.619 195 HG2 LYS 24 HG2 LYS 24 9.073 -10.001 5.583 196 HG3 LYS 24 HG3 LYS 24 9.304 -9.006 4.146 197 HD2 LYS 24 HD2 LYS 24 7.500 -7.576 4.682 198 HD3 LYS 24 HD3 LYS 24 6.679 -8.821 5.628 199 HE2 LYS 24 HE2 LYS 24 7.460 -7.294 7.246 200 HE3 LYS 24 HE3 LYS 24 8.508 -8.686 7.341 201 HZ1 LYS 24 HZ1 LYS 24 10.150 -7.436 6.006 202 HZ2 LYS 24 HZ2 LYS 24 9.813 -6.784 7.459 203 HZ3 LYS 24 HZ3 LYS 24 9.194 -6.097 6.111 204 H SER 25 HN SER 25 6.947 -13.408 4.495 205 HA SER 25 HA SER 25 5.192 -13.519 2.241 206 HB2 SER 25 HB2 SER 25 5.175 -15.967 1.939 207 HB3 SER 25 HB3 SER 25 6.706 -15.264 1.451 208 HG SER 25 HG SER 25 7.631 -15.976 3.356 209 H GLY 26 HN GLY 26 3.320 -14.897 2.732 210 HA2 GLY 26 HA2 GLY 26 1.596 -15.646 4.043 211 HA3 GLY 26 HA1 GLY 26 2.844 -16.292 5.130 212 H ASP 27 HN ASP 27 2.317 -15.667 7.181 213 HA ASP 27 HA ASP 27 0.647 -13.445 7.717 214 HB2 ASP 27 HB2 ASP 27 2.074 -15.465 9.293 215 HB3 ASP 27 HB3 ASP 27 2.050 -13.910 10.084 216 H GLU 28 HN GLU 28 4.257 -13.660 7.614 217 HA GLU 28 HA GLU 28 4.815 -11.268 8.875 218 HB2 GLU 28 HB2 GLU 28 6.109 -13.284 7.309 219 HB3 GLU 28 HB3 GLU 28 6.569 -11.769 6.578 220 HG2 GLU 28 HG2 GLU 28 6.768 -12.328 9.540 221 HG3 GLU 28 HG3 GLU 28 8.005 -12.785 8.380 222 H ALA 29 HN ALA 29 3.895 -11.928 5.496 223 HA ALA 29 HA ALA 29 4.306 -9.267 4.492 224 HB1 ALA 29 HB1 ALA 29 2.298 -11.338 3.474 225 HB2 ALA 29 HB2 ALA 29 3.049 -10.025 2.555 226 HB3 ALA 29 HB3 ALA 29 4.036 -11.397 3.109 227 H ASN 30 HN ASN 30 1.766 -10.791 6.264 228 HA ASN 30 HA ASN 30 -0.283 -8.766 5.647 229 HB2 ASN 30 HB2 ASN 30 -0.288 -11.257 7.392 230 HB3 ASN 30 HB3 ASN 30 -1.598 -10.089 7.375 231 HD21 ASN 30 HD21 ASN 30 0.144 -12.511 5.276 232 HD22 ASN 30 HD22 ASN 30 -1.228 -12.679 4.207 233 H ALA 31 HN ALA 31 1.808 -9.769 8.373 234 HA ALA 31 HA ALA 31 1.001 -7.831 10.274 235 HB1 ALA 31 HB1 ALA 31 2.403 -9.800 10.811 236 HB2 ALA 31 HB2 ALA 31 3.723 -9.133 9.822 237 HB3 ALA 31 HB3 ALA 31 3.209 -8.285 11.288 238 H TYR 32 HN TYR 32 3.511 -7.773 7.707 239 HA TYR 32 HA TYR 32 4.414 -5.111 8.143 240 HB2 TYR 32 HB2 TYR 32 5.454 -6.883 6.696 241 HB3 TYR 32 HB3 TYR 32 4.211 -6.587 5.481 242 HD1 TYR 32 HD2 TYR 32 7.078 -5.128 7.348 243 HD2 TYR 32 HD1 TYR 32 4.253 -4.452 4.153 244 HE1 TYR 32 HE2 TYR 32 8.566 -3.417 6.419 245 HE2 TYR 32 HE1 TYR 32 5.669 -2.673 3.237 246 HH TYR 32 HH TYR 32 8.983 -2.093 4.702 247 H ALA 33 HN ALA 33 1.813 -6.370 5.994 248 HA ALA 33 HA ALA 33 1.008 -3.847 5.016 249 HB1 ALA 33 HB1 ALA 33 0.545 -6.026 3.933 250 HB2 ALA 33 HB2 ALA 33 -0.630 -6.388 5.214 251 HB3 ALA 33 HB3 ALA 33 -0.911 -5.023 4.112 252 H ALA 34 HN ALA 34 0.842 -4.606 8.248 253 HA ALA 34 HA ALA 34 -1.649 -3.056 8.715 254 HB1 ALA 34 HB1 ALA 34 -1.179 -3.327 11.049 255 HB2 ALA 34 HB2 ALA 34 -1.011 -4.927 10.268 256 HB3 ALA 34 HB3 ALA 34 0.434 -3.983 10.711 257 H GLU 35 HN GLU 35 1.950 -2.703 8.796 258 HA GLU 35 HA GLU 35 1.908 -0.119 10.039 259 HB2 GLU 35 HB2 GLU 35 3.967 -1.538 8.279 260 HB3 GLU 35 HB3 GLU 35 4.210 0.077 8.991 261 HG2 GLU 35 HG2 GLU 35 3.812 -0.843 11.260 262 HG3 GLU 35 HG3 GLU 35 3.593 -2.464 10.568 263 H VAL 36 HN VAL 36 2.033 -1.111 6.580 264 HA VAL 36 HA VAL 36 2.142 1.458 5.526 265 HB VAL 36 HB VAL 36 0.950 -0.984 4.200 266 HG11 VAL 36 HG11 VAL 36 1.906 0.012 2.141 267 HG12 VAL 36 HG12 VAL 36 0.727 1.095 2.881 268 HG13 VAL 36 HG13 VAL 36 2.476 1.401 3.079 269 HG21 VAL 36 HG21 VAL 36 3.438 -1.238 3.418 270 HG22 VAL 36 HG22 VAL 36 3.827 -0.207 4.781 271 HG23 VAL 36 HG23 VAL 36 3.042 -1.776 5.054 272 H VAL 37 HN VAL 37 -0.577 0.024 7.116 273 HA VAL 37 HA VAL 37 -2.555 1.676 5.701 274 HB VAL 37 HB VAL 37 -2.685 -0.151 8.125 275 HG11 VAL 37 HG11 VAL 37 -4.937 1.380 6.757 276 HG12 VAL 37 HG12 VAL 37 -5.235 -0.077 7.730 277 HG13 VAL 37 HG13 VAL 37 -4.509 1.367 8.470 278 HG21 VAL 37 HG21 VAL 37 -3.672 -0.469 5.266 279 HG22 VAL 37 HG22 VAL 37 -2.257 -1.255 5.992 280 HG23 VAL 37 HG23 VAL 37 -3.876 -1.659 6.575 281 H LYS 38 HN LYS 38 -0.259 2.104 8.130 282 HA LYS 38 HA LYS 38 -1.561 4.540 9.157 283 HB2 LYS 38 HB2 LYS 38 -0.918 3.394 11.034 284 HB3 LYS 38 HB3 LYS 38 0.484 2.617 10.250 285 HG2 LYS 38 HG2 LYS 38 1.700 4.622 10.180 286 HG3 LYS 38 HG3 LYS 38 0.395 5.588 10.886 287 HD2 LYS 38 HD2 LYS 38 1.964 3.338 12.151 288 HD3 LYS 38 HD3 LYS 38 2.128 5.064 12.544 289 HE2 LYS 38 HE2 LYS 38 -0.381 3.406 13.000 290 HE3 LYS 38 HE3 LYS 38 0.835 3.705 14.236 291 HZ1 LYS 38 HZ1 LYS 38 -1.285 5.337 13.809 292 HZ2 LYS 38 HZ2 LYS 38 -0.068 6.134 13.024 293 HZ3 LYS 38 HZ3 LYS 38 0.077 5.734 14.586 294 H ALA 39 HN ALA 39 -1.067 6.271 8.002 295 HA ALA 39 HA ALA 39 1.391 7.413 8.186 296 HB1 ALA 39 HB1 ALA 39 1.877 7.629 5.596 297 HB2 ALA 39 HB2 ALA 39 2.467 6.189 6.452 298 HB3 ALA 39 HB3 ALA 39 0.989 6.095 5.495 299 H ASP 40 HN ASP 40 -1.174 6.945 5.936 300 HA ASP 40 HA ASP 40 -1.997 9.431 5.065 301 HB2 ASP 40 HB2 ASP 40 -3.987 8.117 4.323 302 HB3 ASP 40 HB3 ASP 40 -2.453 7.338 3.942 303 H PHE 41 HN PHE 41 -1.703 10.229 7.483 304 HA PHE 41 HA PHE 41 -4.447 10.865 8.375 305 HB2 PHE 41 HB2 PHE 41 -2.247 10.380 10.369 306 HB3 PHE 41 HB3 PHE 41 -3.948 10.646 10.681 307 HD1 PHE 41 HD1 PHE 41 -5.474 8.726 9.221 308 HD2 PHE 41 HD2 PHE 41 -1.474 8.246 10.759 309 HE1 PHE 41 HE1 PHE 41 -5.776 6.252 9.262 310 HE2 PHE 41 HE2 PHE 41 -1.811 5.811 10.870 311 HZ PHE 41 HZ PHE 41 -3.962 4.797 10.101 312 H GLU 42 HN GLU 42 -1.017 11.831 9.347 313 HA GLU 42 HA GLU 42 -1.985 14.557 9.558 314 HB2 GLU 42 HB2 GLU 42 0.833 13.489 9.933 315 HB3 GLU 42 HB3 GLU 42 0.248 15.112 10.289 316 HG2 GLU 42 HG2 GLU 42 -1.527 13.615 11.750 317 HG3 GLU 42 HG3 GLU 42 -0.091 12.620 11.848 318 H GLU 43 HN GLU 43 0.206 12.873 7.166 319 HA GLU 43 HA GLU 43 0.727 15.458 5.878 320 HB2 GLU 43 HB2 GLU 43 1.887 12.752 5.787 321 HB3 GLU 43 HB3 GLU 43 1.670 13.448 4.192 322 HG2 GLU 43 HG2 GLU 43 3.649 14.388 4.502 323 HG3 GLU 43 HG3 GLU 43 2.775 15.611 5.425 324 H ALA 44 HN ALA 44 -0.189 16.208 4.108 325 HA ALA 44 HA ALA 44 -2.486 14.862 2.866 326 HB1 ALA 44 HB1 ALA 44 -1.160 17.560 2.396 327 HB2 ALA 44 HB2 ALA 44 -2.706 17.036 1.686 328 HB3 ALA 44 HB3 ALA 44 -2.566 17.275 3.429 329 H GLY 45 HN GLY 45 -2.366 15.480 0.317 330 HA2 GLY 45 HA2 GLY 45 -1.504 15.068 -1.759 331 HA3 GLY 45 HA1 GLY 45 0.087 15.387 -1.070 332 H HIS 46 HN HIS 46 -1.615 12.811 0.418 333 HA HIS 46 HA HIS 46 -0.868 10.754 0.880 334 HB2 HIS 46 HB2 HIS 46 -0.927 10.474 -2.138 335 HB3 HIS 46 HB3 HIS 46 -0.847 9.138 -0.990 336 HD1 HIS 46 HD1 HIS 46 -3.138 9.877 1.040 337 HD2 HIS 46 HD2 HIS 46 -3.314 10.153 -3.161 338 HE1 HIS 46 HE1 HIS 46 -5.606 9.739 0.433 339 H GLU 47 HN GLU 47 1.147 12.677 1.037 340 HA GLU 47 HA GLU 47 3.386 11.976 -0.608 341 HB2 GLU 47 HB2 GLU 47 2.903 13.894 1.701 342 HB3 GLU 47 HB3 GLU 47 4.517 13.644 1.057 343 HG2 GLU 47 HG2 GLU 47 3.819 14.237 -1.201 344 HG3 GLU 47 HG3 GLU 47 2.143 14.436 -0.654 345 H ASP 48 HN ASP 48 2.868 11.755 2.939 346 HA ASP 48 HA ASP 48 5.458 10.747 3.458 347 HB2 ASP 48 HB2 ASP 48 4.862 10.554 5.679 348 HB3 ASP 48 HB3 ASP 48 4.022 11.969 5.063 349 H VAL 49 HN VAL 49 2.453 9.213 2.655 350 HA VAL 49 HA VAL 49 2.971 6.490 3.219 351 HB VAL 49 HB VAL 49 1.472 7.931 0.957 352 HG11 VAL 49 HG11 VAL 49 1.629 4.976 1.548 353 HG12 VAL 49 HG12 VAL 49 0.247 5.701 0.677 354 HG13 VAL 49 HG13 VAL 49 1.879 5.816 0.005 355 HG21 VAL 49 HG21 VAL 49 0.514 6.530 3.460 356 HG22 VAL 49 HG22 VAL 49 0.525 8.284 3.201 357 HG23 VAL 49 HG23 VAL 49 -0.535 7.238 2.237 358 H MET 50 HN MET 50 3.745 8.315 0.177 359 HA MET 50 HA MET 50 5.099 6.100 -1.014 360 HB2 MET 50 HB2 MET 50 5.748 9.022 -1.544 361 HB3 MET 50 HB3 MET 50 5.953 7.643 -2.619 362 HG2 MET 50 HG2 MET 50 3.454 9.097 -1.809 363 HG3 MET 50 HG3 MET 50 4.107 8.873 -3.420 364 HE1 MET 50 HE1 MET 50 4.080 6.524 -4.700 365 HE2 MET 50 HE2 MET 50 4.645 5.594 -3.284 366 HE3 MET 50 HE3 MET 50 3.165 5.102 -4.129 367 H ARG 51 HN ARG 51 6.166 8.823 1.005 368 HA ARG 51 HA ARG 51 8.931 8.245 0.989 369 HB2 ARG 51 HB2 ARG 51 7.024 9.895 2.537 370 HB3 ARG 51 HB3 ARG 51 8.401 9.401 3.511 371 HG2 ARG 51 HG2 ARG 51 8.695 10.619 0.736 372 HG3 ARG 51 HG3 ARG 51 8.602 11.605 2.198 373 HD2 ARG 51 HD2 ARG 51 10.567 10.720 3.112 374 HD3 ARG 51 HD3 ARG 51 10.557 9.291 2.078 375 HE ARG 51 HE ARG 51 10.874 11.137 0.206 376 HH11 ARG 51 HH11 ARG 51 12.557 10.691 3.302 377 HH12 ARG 51 HH12 ARG 51 14.122 10.655 2.524 378 HH21 ARG 51 HH21 ARG 51 12.856 11.401 -0.662 379 HH22 ARG 51 HH22 ARG 51 14.326 11.223 0.301 380 H LYS 52 HN LYS 52 6.368 6.850 3.120 381 HA LYS 52 HA LYS 52 8.226 5.516 4.798 382 HB2 LYS 52 HB2 LYS 52 5.834 5.803 5.333 383 HB3 LYS 52 HB3 LYS 52 5.407 4.563 4.166 384 HG2 LYS 52 HG2 LYS 52 7.410 3.984 6.405 385 HG3 LYS 52 HG3 LYS 52 5.698 4.024 6.753 386 HD2 LYS 52 HD2 LYS 52 5.401 2.283 4.881 387 HD3 LYS 52 HD3 LYS 52 7.154 2.118 4.901 388 HE2 LYS 52 HE2 LYS 52 5.184 1.502 7.157 389 HE3 LYS 52 HE3 LYS 52 6.078 0.330 6.159 390 HZ1 LYS 52 HZ1 LYS 52 8.122 1.573 7.173 391 HZ2 LYS 52 HZ2 LYS 52 7.359 0.378 7.978 392 HZ3 LYS 52 HZ3 LYS 52 7.055 1.925 8.399 393 H VAL 53 HN VAL 53 6.543 4.319 1.767 394 HA VAL 53 HA VAL 53 7.899 1.821 2.028 395 HB VAL 53 HB VAL 53 7.068 1.410 -0.286 396 HG11 VAL 53 HG11 VAL 53 5.679 0.674 1.494 397 HG12 VAL 53 HG12 VAL 53 5.055 2.320 1.799 398 HG13 VAL 53 HG13 VAL 53 4.630 1.447 0.310 399 HG21 VAL 53 HG21 VAL 53 5.521 2.912 -1.382 400 HG22 VAL 53 HG22 VAL 53 5.680 4.100 -0.082 401 HG23 VAL 53 HG23 VAL 53 7.058 3.751 -1.151 402 H LEU 54 HN LEU 54 8.703 4.876 0.348 403 HA LEU 54 HA LEU 54 10.764 3.602 -1.189 404 HB2 LEU 54 HB2 LEU 54 9.910 6.472 -0.666 405 HB3 LEU 54 HB3 LEU 54 11.392 6.173 -1.531 406 HG LEU 54 HG LEU 54 8.807 4.845 -2.417 407 HD11 LEU 54 HD11 LEU 54 9.872 7.543 -3.345 408 HD12 LEU 54 HD12 LEU 54 8.408 7.262 -2.392 409 HD13 LEU 54 HD13 LEU 54 8.497 6.653 -4.044 410 HD21 LEU 54 HD21 LEU 54 9.950 4.728 -4.579 411 HD22 LEU 54 HD22 LEU 54 10.943 3.942 -3.347 412 HD23 LEU 54 HD23 LEU 54 11.371 5.563 -3.916 413 H GLY 55 HN GLY 55 10.758 5.041 2.013 414 HA2 GLY 55 HA2 GLY 55 13.666 4.920 2.293 415 HA3 GLY 55 HA1 GLY 55 12.451 5.053 3.594 416 H ASP 56 HN ASP 56 10.859 2.971 3.477 417 HA ASP 56 HA ASP 56 12.339 0.997 4.726 418 HB2 ASP 56 HB2 ASP 56 9.497 1.222 3.759 419 HB3 ASP 56 HB3 ASP 56 10.072 -0.369 4.059 420 H LEU 57 HN LEU 57 11.653 1.172 1.229 421 HA LEU 57 HA LEU 57 12.085 -1.641 0.752 422 HB2 LEU 57 HB2 LEU 57 11.795 0.886 -0.861 423 HB3 LEU 57 HB3 LEU 57 12.765 -0.327 -1.593 424 HG LEU 57 HG LEU 57 9.824 -0.447 -0.940 425 HD11 LEU 57 HD11 LEU 57 10.906 0.383 -3.104 426 HD12 LEU 57 HD12 LEU 57 9.685 -0.916 -3.293 427 HD13 LEU 57 HD13 LEU 57 11.431 -1.278 -3.365 428 HD21 LEU 57 HD21 LEU 57 11.570 -2.891 -1.457 429 HD22 LEU 57 HD22 LEU 57 9.807 -2.850 -1.714 430 HD23 LEU 57 HD23 LEU 57 10.459 -2.632 -0.100 431 H ASP 58 HN ASP 58 14.257 0.973 1.435 432 HA ASP 58 HA ASP 58 16.525 1.099 1.435 433 HB2 ASP 58 HB2 ASP 58 16.077 -0.715 3.067 434 HB3 ASP 58 HB3 ASP 58 16.302 -1.900 1.822 435 H GLY 59 HN GLY 59 15.600 1.383 -1.025 436 HA2 GLY 59 HA2 GLY 59 16.543 1.696 -3.079 437 HA3 GLY 59 HA1 GLY 59 17.936 0.741 -2.593 438 H LYS 60 HN LYS 60 15.014 -1.098 -2.196 439 HA LYS 60 HA LYS 60 16.161 -2.996 -3.871 440 HB2 LYS 60 HB2 LYS 60 13.762 -2.733 -2.237 441 HB3 LYS 60 HB3 LYS 60 13.731 -3.997 -3.431 442 HG2 LYS 60 HG2 LYS 60 16.088 -4.678 -2.470 443 HG3 LYS 60 HG3 LYS 60 15.611 -3.686 -1.080 444 HD2 LYS 60 HD2 LYS 60 13.554 -5.078 -0.841 445 HD3 LYS 60 HD3 LYS 60 14.034 -6.002 -2.277 446 HE2 LYS 60 HE2 LYS 60 14.595 -7.296 -0.321 447 HE3 LYS 60 HE3 LYS 60 16.068 -6.800 -1.160 448 HZ1 LYS 60 HZ1 LYS 60 16.280 -6.496 1.206 449 HZ2 LYS 60 HZ2 LYS 60 14.978 -5.501 1.263 450 HZ3 LYS 60 HZ3 LYS 60 16.346 -5.038 0.475 451 H ARG 61 HN ARG 61 13.887 -0.542 -4.840 452 HA ARG 61 HA ARG 61 13.480 -1.835 -7.470 453 HB2 ARG 61 HB2 ARG 61 11.217 -1.115 -5.559 454 HB3 ARG 61 HB3 ARG 61 10.956 -1.198 -7.275 455 HG2 ARG 61 HG2 ARG 61 11.981 -3.592 -5.695 456 HG3 ARG 61 HG3 ARG 61 10.267 -3.222 -5.952 457 HD2 ARG 61 HD2 ARG 61 10.767 -3.127 -8.430 458 HD3 ARG 61 HD3 ARG 61 12.347 -3.838 -8.073 459 HE ARG 61 HE ARG 61 10.355 -5.447 -6.857 460 HH11 ARG 61 HH11 ARG 61 11.028 -4.474 -10.163 461 HH12 ARG 61 HH12 ARG 61 11.108 -6.075 -10.809 462 HH21 ARG 61 HH21 ARG 61 9.682 -7.451 -7.873 463 HH22 ARG 61 HH22 ARG 61 10.285 -7.806 -9.459 464 HA PRO 62 HA PRO 62 13.774 2.478 -8.582 465 HB2 PRO 62 HB2 PRO 62 12.158 2.535 -10.866 466 HB3 PRO 62 HB3 PRO 62 13.884 2.089 -10.840 467 HG2 PRO 62 HG2 PRO 62 11.470 0.316 -10.904 468 HG3 PRO 62 HG3 PRO 62 13.065 0.066 -11.681 469 HD2 PRO 62 HD2 PRO 62 12.294 -1.223 -9.387 470 HD3 PRO 62 HD3 PRO 62 13.997 -0.778 -9.732 471 H GLU 63 HN GLU 63 12.589 4.290 -8.256 472 HA GLU 63 HA GLU 63 10.276 4.293 -6.691 473 HB2 GLU 63 HB2 GLU 63 12.002 6.128 -7.029 474 HB3 GLU 63 HB3 GLU 63 11.237 6.467 -8.588 475 HG2 GLU 63 HG2 GLU 63 9.036 6.737 -7.213 476 HG3 GLU 63 HG3 GLU 63 10.097 6.796 -5.809 477 H ALA 64 HN ALA 64 10.648 4.645 -10.238 478 HA ALA 64 HA ALA 64 8.018 5.234 -10.936 479 HB1 ALA 64 HB1 ALA 64 9.888 5.271 -12.527 480 HB2 ALA 64 HB2 ALA 64 10.027 3.499 -12.440 481 HB3 ALA 64 HB3 ALA 64 8.579 4.252 -13.139 482 H GLU 65 HN GLU 65 9.431 1.924 -10.304 483 HA GLU 65 HA GLU 65 7.050 0.571 -11.088 484 HB2 GLU 65 HB2 GLU 65 9.370 -0.403 -10.888 485 HB3 GLU 65 HB3 GLU 65 9.155 -0.442 -9.124 486 HG2 GLU 65 HG2 GLU 65 7.182 -1.912 -9.411 487 HG3 GLU 65 HG3 GLU 65 7.316 -1.737 -11.162 488 H VAL 66 HN VAL 66 8.122 1.960 -8.016 489 HA VAL 66 HA VAL 66 6.044 0.970 -6.330 490 HB VAL 66 HB VAL 66 7.455 3.655 -6.048 491 HG11 VAL 66 HG11 VAL 66 5.610 3.245 -4.470 492 HG12 VAL 66 HG12 VAL 66 6.446 1.773 -3.907 493 HG13 VAL 66 HG13 VAL 66 7.185 3.365 -3.686 494 HG21 VAL 66 HG21 VAL 66 8.527 0.937 -5.176 495 HG22 VAL 66 HG22 VAL 66 9.235 1.995 -6.410 496 HG23 VAL 66 HG23 VAL 66 9.209 2.519 -4.744 497 H ARG 67 HN ARG 67 6.323 3.948 -8.346 498 HA ARG 67 HA ARG 67 3.876 5.130 -7.511 499 HB2 ARG 67 HB2 ARG 67 4.909 5.347 -10.381 500 HB3 ARG 67 HB3 ARG 67 3.914 6.480 -9.481 501 HG2 ARG 67 HG2 ARG 67 6.861 5.912 -9.174 502 HG3 ARG 67 HG3 ARG 67 6.051 7.320 -9.739 503 HD2 ARG 67 HD2 ARG 67 4.954 7.208 -7.246 504 HD3 ARG 67 HD3 ARG 67 6.457 6.332 -6.916 505 HE ARG 67 HE ARG 67 7.662 8.320 -7.153 506 HH11 ARG 67 HH11 ARG 67 4.287 8.946 -8.131 507 HH12 ARG 67 HH12 ARG 67 4.632 10.534 -8.664 508 HH21 ARG 67 HH21 ARG 67 8.089 10.309 -7.851 509 HH22 ARG 67 HH22 ARG 67 6.882 11.374 -8.550 510 H ALA 68 HN ALA 68 4.491 3.336 -10.464 511 HA ALA 68 HA ALA 68 1.895 3.149 -11.457 512 HB1 ALA 68 HB1 ALA 68 3.739 2.319 -12.780 513 HB2 ALA 68 HB2 ALA 68 4.058 1.008 -11.619 514 HB3 ALA 68 HB3 ALA 68 2.557 1.019 -12.579 515 H LYS 69 HN LYS 69 3.372 0.814 -9.091 516 HA LYS 69 HA LYS 69 1.245 -0.842 -8.613 517 HB2 LYS 69 HB2 LYS 69 3.835 -0.282 -7.621 518 HB3 LYS 69 HB3 LYS 69 2.850 0.107 -6.271 519 HG2 LYS 69 HG2 LYS 69 3.571 -2.143 -6.113 520 HG3 LYS 69 HG3 LYS 69 1.834 -2.186 -6.413 521 HD2 LYS 69 HD2 LYS 69 3.017 -3.863 -7.606 522 HD3 LYS 69 HD3 LYS 69 2.175 -2.826 -8.724 523 HE2 LYS 69 HE2 LYS 69 5.148 -2.462 -8.147 524 HE3 LYS 69 HE3 LYS 69 4.575 -3.783 -9.171 525 HZ1 LYS 69 HZ1 LYS 69 4.568 -0.937 -9.723 526 HZ2 LYS 69 HZ2 LYS 69 3.331 -1.836 -10.393 527 HZ3 LYS 69 HZ3 LYS 69 4.892 -2.206 -10.702 528 H TYR 70 HN TYR 70 2.000 2.161 -6.764 529 HA TYR 70 HA TYR 70 -0.304 1.937 -5.143 530 HB2 TYR 70 HB2 TYR 70 1.819 3.214 -4.646 531 HB3 TYR 70 HB3 TYR 70 1.333 4.413 -5.813 532 HD1 TYR 70 HD1 TYR 70 0.133 2.699 -2.570 533 HD2 TYR 70 HD2 TYR 70 0.049 6.235 -5.145 534 HE1 TYR 70 HE1 TYR 70 -1.114 3.955 -0.889 535 HE2 TYR 70 HE2 TYR 70 -1.114 7.481 -3.409 536 HH TYR 70 HH TYR 70 -1.782 7.444 -1.137 537 H GLU 71 HN GLU 71 0.329 3.912 -8.057 538 HA GLU 71 HA GLU 71 -2.089 5.368 -8.171 539 HB2 GLU 71 HB2 GLU 71 -0.038 4.433 -10.210 540 HB3 GLU 71 HB3 GLU 71 -1.453 5.310 -10.725 541 HG2 GLU 71 HG2 GLU 71 0.526 6.359 -8.646 542 HG3 GLU 71 HG3 GLU 71 0.620 6.713 -10.370 543 H GLY 72 HN GLY 72 -1.229 2.213 -9.732 544 HA2 GLY 72 HA2 GLY 72 -3.741 1.874 -11.049 545 HA3 GLY 72 HA1 GLY 72 -2.519 0.628 -10.718 546 H LEU 73 HN LEU 73 -2.666 1.154 -7.766 547 HA LEU 73 HA LEU 73 -4.409 -0.933 -7.245 548 HB2 LEU 73 HB2 LEU 73 -2.491 0.610 -5.787 549 HB3 LEU 73 HB3 LEU 73 -3.922 0.600 -4.811 550 HG LEU 73 HG LEU 73 -3.965 -1.818 -4.671 551 HD11 LEU 73 HD11 LEU 73 -3.120 -2.530 -6.904 552 HD12 LEU 73 HD12 LEU 73 -2.099 -3.203 -5.649 553 HD13 LEU 73 HD13 LEU 73 -1.550 -1.787 -6.570 554 HD21 LEU 73 HD21 LEU 73 -1.307 -0.368 -4.252 555 HD22 LEU 73 HD22 LEU 73 -1.477 -2.030 -3.739 556 HD23 LEU 73 HD23 LEU 73 -2.536 -0.749 -3.065 557 H MET 74 HN MET 74 -5.340 2.404 -7.381 558 HA MET 74 HA MET 74 -7.374 2.417 -5.422 559 HB2 MET 74 HB2 MET 74 -6.614 4.394 -6.644 560 HB3 MET 74 HB3 MET 74 -7.386 3.788 -8.126 561 HG2 MET 74 HG2 MET 74 -9.582 4.031 -7.172 562 HG3 MET 74 HG3 MET 74 -8.933 4.257 -5.551 563 HE1 MET 74 HE1 MET 74 -8.137 6.432 -4.544 564 HE2 MET 74 HE2 MET 74 -8.911 7.929 -5.120 565 HE3 MET 74 HE3 MET 74 -9.904 6.507 -4.745 566 H ALA 75 HN ALA 75 -7.524 1.195 -8.791 567 HA ALA 75 HA ALA 75 -10.289 0.343 -8.517 568 HB1 ALA 75 HB1 ALA 75 -9.275 0.965 -10.713 569 HB2 ALA 75 HB2 ALA 75 -8.253 -0.493 -10.606 570 HB3 ALA 75 HB3 ALA 75 -10.013 -0.648 -10.696 571 H VAL 76 HN VAL 76 -7.080 -1.307 -8.316 572 HA VAL 76 HA VAL 76 -8.052 -3.957 -8.157 573 HB VAL 76 HB VAL 76 -5.560 -2.816 -6.823 574 HG11 VAL 76 HG11 VAL 76 -6.089 -5.663 -7.782 575 HG12 VAL 76 HG12 VAL 76 -4.589 -5.056 -7.055 576 HG13 VAL 76 HG13 VAL 76 -6.065 -5.150 -6.090 577 HG21 VAL 76 HG21 VAL 76 -5.500 -2.198 -9.192 578 HG22 VAL 76 HG22 VAL 76 -4.340 -3.492 -8.889 579 HG23 VAL 76 HG23 VAL 76 -5.896 -3.860 -9.665 580 H ALA 77 HN ALA 77 -7.276 -1.618 -5.573 581 HA ALA 77 HA ALA 77 -7.769 -3.189 -3.344 582 HB1 ALA 77 HB1 ALA 77 -8.087 -1.009 -2.192 583 HB2 ALA 77 HB2 ALA 77 -6.685 -1.013 -3.287 584 HB3 ALA 77 HB3 ALA 77 -8.190 -0.199 -3.767 585 H LYS 78 HN LYS 78 -9.955 -1.119 -5.243 586 HA LYS 78 HA LYS 78 -12.347 -1.585 -3.695 587 HB2 LYS 78 HB2 LYS 78 -11.677 -0.524 -6.468 588 HB3 LYS 78 HB3 LYS 78 -13.292 -1.116 -6.180 589 HG2 LYS 78 HG2 LYS 78 -13.351 0.468 -4.109 590 HG3 LYS 78 HG3 LYS 78 -11.892 1.188 -4.803 591 HD2 LYS 78 HD2 LYS 78 -13.801 2.459 -5.609 592 HD3 LYS 78 HD3 LYS 78 -13.116 1.550 -6.947 593 HE2 LYS 78 HE2 LYS 78 -15.527 1.392 -7.079 594 HE3 LYS 78 HE3 LYS 78 -14.920 -0.211 -6.651 595 HZ1 LYS 78 HZ1 LYS 78 -15.615 0.067 -4.454 596 HZ2 LYS 78 HZ2 LYS 78 -16.865 0.599 -5.397 597 HZ3 LYS 78 HZ3 LYS 78 -15.908 1.695 -4.633 598 H ALA 79 HN ALA 79 -11.024 -3.164 -6.635 599 HA ALA 79 HA ALA 79 -13.243 -4.805 -7.139 600 HB1 ALA 79 HB1 ALA 79 -11.712 -6.127 -8.491 601 HB2 ALA 79 HB2 ALA 79 -11.438 -4.398 -8.772 602 HB3 ALA 79 HB3 ALA 79 -10.307 -5.326 -7.759 603 H GLN 80 HN GLN 80 -10.327 -5.395 -5.094 604 HA GLN 80 HA GLN 80 -10.997 -8.074 -4.450 605 HB2 GLN 80 HB2 GLN 80 -9.534 -5.998 -2.767 606 HB3 GLN 80 HB3 GLN 80 -9.704 -7.723 -2.370 607 HG2 GLN 80 HG2 GLN 80 -8.658 -8.278 -4.595 608 HG3 GLN 80 HG3 GLN 80 -8.264 -6.568 -4.784 609 HE21 GLN 80 HE21 GLN 80 -6.420 -8.847 -4.569 610 HE22 GLN 80 HE22 GLN 80 -5.400 -8.461 -3.190 611 H LEU 81 HN LEU 81 -11.959 -5.079 -2.736 612 HA LEU 81 HA LEU 81 -13.289 -6.328 -0.608 613 HB2 LEU 81 HB2 LEU 81 -13.810 -3.686 -2.088 614 HB3 LEU 81 HB3 LEU 81 -14.708 -4.093 -0.667 615 HG LEU 81 HG LEU 81 -11.693 -3.925 -0.595 616 HD11 LEU 81 HD11 LEU 81 -13.679 -1.659 -0.119 617 HD12 LEU 81 HD12 LEU 81 -12.609 -1.810 -1.530 618 HD13 LEU 81 HD13 LEU 81 -11.914 -1.577 0.078 619 HD21 LEU 81 HD21 LEU 81 -13.834 -3.546 1.555 620 HD22 LEU 81 HD22 LEU 81 -12.098 -3.357 1.810 621 HD23 LEU 81 HD23 LEU 81 -12.767 -4.951 1.388 622 H MET 82 HN MET 82 -14.627 -5.304 -3.804 623 HA MET 82 HA MET 82 -17.304 -6.183 -3.154 624 HB2 MET 82 HB2 MET 82 -17.586 -6.316 -5.709 625 HB3 MET 82 HB3 MET 82 -17.334 -4.756 -4.937 626 HG2 MET 82 HG2 MET 82 -14.896 -4.939 -5.607 627 HG3 MET 82 HG3 MET 82 -15.370 -6.349 -6.583 628 HE1 MET 82 HE1 MET 82 -14.911 -2.644 -6.136 629 HE2 MET 82 HE2 MET 82 -16.103 -1.859 -7.191 630 HE3 MET 82 HE3 MET 82 -16.627 -2.686 -5.717 631 H ASP 83 HN ASP 83 -14.478 -7.906 -4.388 632 HA ASP 83 HA ASP 83 -15.901 -10.316 -5.099 633 HB2 ASP 83 HB2 ASP 83 -13.750 -9.438 -6.036 634 HB3 ASP 83 HB3 ASP 83 -12.948 -9.935 -4.530 635 H GLU 84 HN GLU 84 -14.008 -9.172 -2.260 636 HA GLU 84 HA GLU 84 -14.266 -11.626 -0.773 637 HB2 GLU 84 HB2 GLU 84 -13.563 -8.806 0.180 638 HB3 GLU 84 HB3 GLU 84 -13.429 -10.290 1.138 639 HG2 GLU 84 HG2 GLU 84 -11.997 -11.007 -1.065 640 HG3 GLU 84 HG3 GLU 84 -11.668 -9.295 -1.038 641 H LEU 85 HN LEU 85 -16.571 -9.221 -1.341 642 HA LEU 85 HA LEU 85 -18.733 -8.955 -0.615 643 HB2 LEU 85 HB2 LEU 85 -18.491 -11.407 -1.151 644 HB3 LEU 85 HB3 LEU 85 -18.331 -11.709 0.582 645 HG LEU 85 HG LEU 85 -20.748 -10.142 0.022 646 HD11 LEU 85 HD11 LEU 85 -20.595 -11.318 -2.146 647 HD12 LEU 85 HD12 LEU 85 -21.946 -11.927 -1.188 648 HD13 LEU 85 HD13 LEU 85 -20.460 -12.878 -1.313 649 HD21 LEU 85 HD21 LEU 85 -20.248 -12.910 1.235 650 HD22 LEU 85 HD22 LEU 85 -21.811 -12.085 1.189 651 HD23 LEU 85 HD23 LEU 85 -20.496 -11.403 2.129 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -19.438 10.085 1.691 2 HA2 GLY 1 HA2 GLY 1 -17.123 9.834 2.426 3 HA3 GLY 1 HA1 GLY 1 -18.125 8.532 3.090 4 H MET 2 HN MET 2 -17.052 6.624 2.966 5 HA MET 2 HA MET 2 -16.053 4.818 2.202 6 HB2 MET 2 HB2 MET 2 -17.797 5.192 0.443 7 HB3 MET 2 HB3 MET 2 -16.525 5.798 -0.623 8 HG2 MET 2 HG2 MET 2 -15.405 3.697 -0.653 9 HG3 MET 2 HG3 MET 2 -16.350 3.081 0.705 10 HE1 MET 2 HE1 MET 2 -19.449 3.644 0.029 11 HE2 MET 2 HE2 MET 2 -19.717 2.054 -0.700 12 HE3 MET 2 HE3 MET 2 -18.639 2.210 0.698 13 H GLN 3 HN GLN 3 -14.540 7.772 1.347 14 HA GLN 3 HA GLN 3 -12.128 6.882 0.141 15 HB2 GLN 3 HB2 GLN 3 -13.272 9.410 1.279 16 HB3 GLN 3 HB3 GLN 3 -11.537 9.360 1.180 17 HG2 GLN 3 HG2 GLN 3 -12.440 10.379 -0.801 18 HG3 GLN 3 HG3 GLN 3 -11.532 8.928 -1.177 19 HE21 GLN 3 HE21 GLN 3 -12.609 7.130 -2.056 20 HE22 GLN 3 HE22 GLN 3 -14.257 7.153 -2.623 21 H PHE 4 HN PHE 4 -12.536 5.246 2.362 22 HA PHE 4 HA PHE 4 -10.088 5.542 3.986 23 HB2 PHE 4 HB2 PHE 4 -12.817 5.935 4.876 24 HB3 PHE 4 HB3 PHE 4 -12.073 4.572 5.677 25 HD1 PHE 4 HD1 PHE 4 -11.726 8.187 4.863 26 HD2 PHE 4 HD2 PHE 4 -10.351 4.977 7.375 27 HE1 PHE 4 HE1 PHE 4 -10.331 9.775 6.110 28 HE2 PHE 4 HE2 PHE 4 -8.970 6.593 8.660 29 HZ PHE 4 HZ PHE 4 -8.975 9.008 8.061 30 H LYS 5 HN LYS 5 -13.069 3.760 3.101 31 HA LYS 5 HA LYS 5 -12.278 1.117 3.780 32 HB2 LYS 5 HB2 LYS 5 -14.361 2.271 1.950 33 HB3 LYS 5 HB3 LYS 5 -14.059 0.541 1.985 34 HG2 LYS 5 HG2 LYS 5 -14.672 2.165 4.507 35 HG3 LYS 5 HG3 LYS 5 -15.877 1.380 3.502 36 HD2 LYS 5 HD2 LYS 5 -15.626 -0.388 4.873 37 HD3 LYS 5 HD3 LYS 5 -14.218 -0.749 3.890 38 HE2 LYS 5 HE2 LYS 5 -12.963 0.825 5.618 39 HE3 LYS 5 HE3 LYS 5 -14.384 0.531 6.638 40 HZ1 LYS 5 HZ1 LYS 5 -12.601 -1.537 5.479 41 HZ2 LYS 5 HZ2 LYS 5 -13.869 -1.874 6.458 42 HZ3 LYS 5 HZ3 LYS 5 -12.563 -1.049 7.017 43 H ALA 6 HN ALA 6 -12.353 2.724 0.549 44 HA ALA 6 HA ALA 6 -10.875 0.708 -0.776 45 HB1 ALA 6 HB1 ALA 6 -11.069 3.679 -1.397 46 HB2 ALA 6 HB2 ALA 6 -10.503 2.421 -2.501 47 HB3 ALA 6 HB3 ALA 6 -12.193 2.426 -1.943 48 H GLU 7 HN GLU 7 -9.801 3.646 0.950 49 HA GLU 7 HA GLU 7 -7.177 3.711 0.119 50 HB2 GLU 7 HB2 GLU 7 -8.756 4.827 2.457 51 HB3 GLU 7 HB3 GLU 7 -7.008 5.045 2.431 52 HG2 GLU 7 HG2 GLU 7 -8.271 6.928 1.341 53 HG3 GLU 7 HG3 GLU 7 -7.057 6.172 0.308 54 H ALA 8 HN ALA 8 -8.232 2.454 3.338 55 HA ALA 8 HA ALA 8 -5.641 1.424 3.914 56 HB1 ALA 8 HB1 ALA 8 -8.320 0.510 5.017 57 HB2 ALA 8 HB2 ALA 8 -6.726 0.146 5.719 58 HB3 ALA 8 HB3 ALA 8 -7.307 1.818 5.656 59 H ARG 9 HN ARG 9 -8.227 0.051 1.938 60 HA ARG 9 HA ARG 9 -7.099 -2.646 1.887 61 HB2 ARG 9 HB2 ARG 9 -9.525 -2.045 1.380 62 HB3 ARG 9 HB3 ARG 9 -8.986 -1.334 -0.123 63 HG2 ARG 9 HG2 ARG 9 -9.825 -3.565 -0.528 64 HG3 ARG 9 HG3 ARG 9 -8.106 -3.538 -0.875 65 HD2 ARG 9 HD2 ARG 9 -8.910 -5.588 0.282 66 HD3 ARG 9 HD3 ARG 9 -7.615 -4.759 1.161 67 HE ARG 9 HE ARG 9 -9.806 -3.697 2.354 68 HH11 ARG 9 HH11 ARG 9 -8.884 -7.098 1.767 69 HH12 ARG 9 HH12 ARG 9 -9.853 -7.685 3.062 70 HH21 ARG 9 HH21 ARG 9 -11.143 -4.536 4.029 71 HH22 ARG 9 HH22 ARG 9 -11.015 -6.211 4.430 72 H ARG 10 HN ARG 10 -6.883 0.278 -0.194 73 HA ARG 10 HA ARG 10 -5.208 -0.711 -2.248 74 HB2 ARG 10 HB2 ARG 10 -6.356 1.695 -1.800 75 HB3 ARG 10 HB3 ARG 10 -4.776 2.061 -1.119 76 HG2 ARG 10 HG2 ARG 10 -3.864 1.095 -3.388 77 HG3 ARG 10 HG3 ARG 10 -5.529 1.288 -3.951 78 HD2 ARG 10 HD2 ARG 10 -3.533 3.373 -3.074 79 HD3 ARG 10 HD3 ARG 10 -4.327 3.237 -4.632 80 HE ARG 10 HE ARG 10 -6.276 3.715 -2.593 81 HH11 ARG 10 HH11 ARG 10 -3.615 5.492 -4.228 82 HH12 ARG 10 HH12 ARG 10 -4.325 7.037 -3.877 83 HH21 ARG 10 HH21 ARG 10 -7.182 5.895 -2.202 84 HH22 ARG 10 HH22 ARG 10 -6.244 7.228 -2.735 85 H ASN 11 HN ASN 11 -4.277 0.909 0.854 86 HA ASN 11 HA ASN 11 -1.558 0.345 0.387 87 HB2 ASN 11 HB2 ASN 11 -3.039 1.258 2.838 88 HB3 ASN 11 HB3 ASN 11 -1.386 0.662 3.011 89 HD21 ASN 11 HD21 ASN 11 -3.105 3.531 2.417 90 HD22 ASN 11 HD22 ASN 11 -1.874 4.330 1.560 91 H LYS 12 HN LYS 12 -3.979 -1.664 2.172 92 HA LYS 12 HA LYS 12 -2.105 -3.503 3.222 93 HB2 LYS 12 HB2 LYS 12 -4.519 -3.466 3.804 94 HB3 LYS 12 HB3 LYS 12 -4.919 -4.138 2.216 95 HG2 LYS 12 HG2 LYS 12 -3.530 -6.155 2.760 96 HG3 LYS 12 HG3 LYS 12 -3.164 -5.449 4.335 97 HD2 LYS 12 HD2 LYS 12 -5.707 -5.462 4.792 98 HD3 LYS 12 HD3 LYS 12 -5.865 -6.370 3.269 99 HE2 LYS 12 HE2 LYS 12 -3.953 -7.862 4.372 100 HE3 LYS 12 HE3 LYS 12 -4.563 -7.179 5.881 101 HZ1 LYS 12 HZ1 LYS 12 -5.636 -9.227 5.466 102 HZ2 LYS 12 HZ2 LYS 12 -5.976 -8.835 3.904 103 HZ3 LYS 12 HZ3 LYS 12 -6.793 -8.131 5.157 104 H LEU 13 HN LEU 13 -3.856 -3.640 0.078 105 HA LEU 13 HA LEU 13 -2.486 -5.984 -0.860 106 HB2 LEU 13 HB2 LEU 13 -3.899 -3.782 -2.360 107 HB3 LEU 13 HB3 LEU 13 -3.265 -5.273 -3.096 108 HG LEU 13 HG LEU 13 -5.473 -5.185 -1.020 109 HD11 LEU 13 HD11 LEU 13 -6.918 -5.633 -2.965 110 HD12 LEU 13 HD12 LEU 13 -5.518 -5.652 -4.061 111 HD13 LEU 13 HD13 LEU 13 -6.002 -4.157 -3.250 112 HD21 LEU 13 HD21 LEU 13 -5.713 -7.578 -1.582 113 HD22 LEU 13 HD22 LEU 13 -4.114 -7.299 -0.977 114 HD23 LEU 13 HD23 LEU 13 -4.368 -7.483 -2.724 115 H MET 14 HN MET 14 -1.682 -2.396 -1.278 116 HA MET 14 HA MET 14 0.557 -2.793 -2.835 117 HB2 MET 14 HB2 MET 14 -0.365 -0.628 -2.371 118 HB3 MET 14 HB3 MET 14 -0.077 -0.795 -0.644 119 HG2 MET 14 HG2 MET 14 1.500 0.686 -1.916 120 HG3 MET 14 HG3 MET 14 2.216 -0.475 -0.814 121 HE1 MET 14 HE1 MET 14 3.989 0.966 -2.402 122 HE2 MET 14 HE2 MET 14 4.495 0.401 -4.012 123 HE3 MET 14 HE3 MET 14 2.951 1.262 -3.797 124 H GLY 15 HN GLY 15 0.528 -2.631 0.827 125 HA2 GLY 15 HA2 GLY 15 3.259 -3.205 0.966 126 HA3 GLY 15 HA1 GLY 15 2.185 -3.411 2.317 127 H LEU 16 HN LEU 16 0.570 -5.534 0.667 128 HA LEU 16 HA LEU 16 2.064 -7.891 1.222 129 HB2 LEU 16 HB2 LEU 16 -0.303 -7.246 -0.547 130 HB3 LEU 16 HB3 LEU 16 0.406 -8.853 -0.572 131 HG LEU 16 HG LEU 16 -0.286 -7.597 2.097 132 HD11 LEU 16 HD11 LEU 16 -2.355 -7.316 0.874 133 HD12 LEU 16 HD12 LEU 16 -2.541 -8.669 1.989 134 HD13 LEU 16 HD13 LEU 16 -2.283 -8.982 0.261 135 HD21 LEU 16 HD21 LEU 16 -0.248 -9.754 2.921 136 HD22 LEU 16 HD22 LEU 16 0.957 -9.911 1.651 137 HD23 LEU 16 HD23 LEU 16 -0.720 -10.487 1.406 138 H TRP 17 HN TRP 17 1.918 -5.956 -1.835 139 HA TRP 17 HA TRP 17 3.796 -7.663 -3.281 140 HB2 TRP 17 HB2 TRP 17 2.331 -6.206 -4.556 141 HB3 TRP 17 HB3 TRP 17 2.880 -4.797 -3.684 142 HD1 TRP 17 HD1 TRP 17 4.170 -7.267 -6.322 143 HE1 TRP 17 HE1 TRP 17 6.088 -6.191 -7.655 144 HE3 TRP 17 HE3 TRP 17 4.549 -2.876 -3.781 145 HZ2 TRP 17 HZ2 TRP 17 7.469 -3.681 -7.730 146 HZ3 TRP 17 HZ3 TRP 17 5.986 -1.042 -4.685 147 HH2 TRP 17 HH2 TRP 17 7.494 -1.461 -6.620 148 H VAL 18 HN VAL 18 4.071 -4.600 -1.400 149 HA VAL 18 HA VAL 18 6.791 -4.134 -1.914 150 HB VAL 18 HB VAL 18 5.355 -3.582 0.707 151 HG11 VAL 18 HG11 VAL 18 6.915 -1.750 0.888 152 HG12 VAL 18 HG12 VAL 18 7.764 -3.270 0.913 153 HG13 VAL 18 HG13 VAL 18 7.787 -2.275 -0.558 154 HG21 VAL 18 HG21 VAL 18 5.545 -1.737 -1.702 155 HG22 VAL 18 HG22 VAL 18 4.108 -2.591 -1.205 156 HG23 VAL 18 HG23 VAL 18 4.788 -1.382 -0.135 157 H ALA 19 HN ALA 19 5.425 -5.768 0.980 158 HA ALA 19 HA ALA 19 7.813 -6.640 2.111 159 HB1 ALA 19 HB1 ALA 19 6.428 -8.200 3.358 160 HB2 ALA 19 HB2 ALA 19 5.546 -6.710 3.123 161 HB3 ALA 19 HB3 ALA 19 5.143 -8.114 2.115 162 H GLU 20 HN GLU 20 5.882 -8.281 -0.497 163 HA GLU 20 HA GLU 20 7.594 -10.557 -0.706 164 HB2 GLU 20 HB2 GLU 20 5.568 -10.786 -1.747 165 HB3 GLU 20 HB3 GLU 20 5.584 -9.206 -2.522 166 HG2 GLU 20 HG2 GLU 20 7.188 -9.914 -4.169 167 HG3 GLU 20 HG3 GLU 20 7.487 -11.431 -3.319 168 H VAL 21 HN VAL 21 7.849 -7.320 -2.353 169 HA VAL 21 HA VAL 21 10.242 -8.013 -3.762 170 HB VAL 21 HB VAL 21 9.221 -5.305 -2.835 171 HG11 VAL 21 HG11 VAL 21 11.631 -5.138 -3.362 172 HG12 VAL 21 HG12 VAL 21 11.331 -5.889 -4.942 173 HG13 VAL 21 HG13 VAL 21 10.630 -4.298 -4.545 174 HG21 VAL 21 HG21 VAL 21 9.011 -6.699 -5.536 175 HG22 VAL 21 HG22 VAL 21 7.675 -6.453 -4.410 176 HG23 VAL 21 HG23 VAL 21 8.443 -5.058 -5.161 177 H LEU 22 HN LEU 22 9.734 -6.948 -0.406 178 HA LEU 22 HA LEU 22 12.564 -6.620 0.187 179 HB2 LEU 22 HB2 LEU 22 10.103 -6.972 1.935 180 HB3 LEU 22 HB3 LEU 22 11.714 -6.918 2.615 181 HG LEU 22 HG LEU 22 10.549 -4.673 0.925 182 HD11 LEU 22 HD11 LEU 22 9.241 -4.938 2.995 183 HD12 LEU 22 HD12 LEU 22 10.248 -3.487 3.081 184 HD13 LEU 22 HD13 LEU 22 10.738 -4.944 3.955 185 HD21 LEU 22 HD21 LEU 22 13.039 -4.916 2.680 186 HD22 LEU 22 HD22 LEU 22 12.434 -3.393 2.037 187 HD23 LEU 22 HD23 LEU 22 12.979 -4.633 0.920 188 H GLY 23 HN GLY 23 10.752 -9.452 -0.530 189 HA2 GLY 23 HA2 GLY 23 11.366 -11.646 -0.391 190 HA3 GLY 23 HA1 GLY 23 12.866 -11.206 0.448 191 H LYS 24 HN LYS 24 10.001 -9.813 1.769 192 HA LYS 24 HA LYS 24 9.949 -11.580 4.150 193 HB2 LYS 24 HB2 LYS 24 8.243 -9.258 3.211 194 HB3 LYS 24 HB3 LYS 24 7.823 -10.246 4.582 195 HG2 LYS 24 HG2 LYS 24 9.941 -9.590 5.700 196 HG3 LYS 24 HG3 LYS 24 10.336 -8.533 4.322 197 HD2 LYS 24 HD2 LYS 24 8.368 -7.143 4.731 198 HD3 LYS 24 HD3 LYS 24 7.734 -8.303 5.905 199 HE2 LYS 24 HE2 LYS 24 10.020 -7.918 7.163 200 HE3 LYS 24 HE3 LYS 24 10.127 -6.445 6.192 201 HZ1 LYS 24 HZ1 LYS 24 7.920 -7.157 8.043 202 HZ2 LYS 24 HZ2 LYS 24 8.045 -5.723 7.172 203 HZ3 LYS 24 HZ3 LYS 24 9.101 -6.099 8.336 204 H SER 25 HN SER 25 8.061 -12.795 4.596 205 HA SER 25 HA SER 25 6.127 -13.486 2.595 206 HB2 SER 25 HB2 SER 25 7.074 -15.873 2.361 207 HB3 SER 25 HB3 SER 25 7.889 -14.605 1.450 208 HG SER 25 HG SER 25 8.704 -15.769 3.918 209 H GLY 26 HN GLY 26 5.308 -15.889 3.612 210 HA2 GLY 26 HA2 GLY 26 4.476 -16.993 5.472 211 HA3 GLY 26 HA1 GLY 26 5.788 -16.283 6.430 212 H ASP 27 HN ASP 27 5.100 -14.881 7.996 213 HA ASP 27 HA ASP 27 2.430 -13.586 7.609 214 HB2 ASP 27 HB2 ASP 27 3.384 -15.213 9.715 215 HB3 ASP 27 HB3 ASP 27 3.331 -13.574 10.344 216 H GLU 28 HN GLU 28 5.834 -12.976 7.928 217 HA GLU 28 HA GLU 28 5.817 -10.271 8.781 218 HB2 GLU 28 HB2 GLU 28 7.551 -12.133 7.238 219 HB3 GLU 28 HB3 GLU 28 7.735 -10.466 6.778 220 HG2 GLU 28 HG2 GLU 28 7.947 -11.477 9.606 221 HG3 GLU 28 HG3 GLU 28 9.310 -11.296 8.523 222 H ALA 29 HN ALA 29 5.101 -11.789 5.642 223 HA ALA 29 HA ALA 29 4.762 -9.250 4.288 224 HB1 ALA 29 HB1 ALA 29 5.444 -11.219 3.012 225 HB2 ALA 29 HB2 ALA 29 3.956 -12.080 3.491 226 HB3 ALA 29 HB3 ALA 29 3.870 -10.668 2.429 227 H ASN 30 HN ASN 30 2.871 -10.558 6.657 228 HA ASN 30 HA ASN 30 0.438 -9.147 5.624 229 HB2 ASN 30 HB2 ASN 30 0.717 -11.380 7.668 230 HB3 ASN 30 HB3 ASN 30 -0.670 -10.295 7.668 231 HD21 ASN 30 HD21 ASN 30 -0.060 -13.322 6.790 232 HD22 ASN 30 HD22 ASN 30 -0.878 -13.395 5.238 233 H ALA 31 HN ALA 31 2.744 -9.519 8.272 234 HA ALA 31 HA ALA 31 1.772 -7.568 10.039 235 HB1 ALA 31 HB1 ALA 31 3.498 -9.182 10.655 236 HB2 ALA 31 HB2 ALA 31 4.606 -8.519 9.428 237 HB3 ALA 31 HB3 ALA 31 4.156 -7.537 10.816 238 H TYR 32 HN TYR 32 4.284 -7.222 7.477 239 HA TYR 32 HA TYR 32 4.782 -4.504 7.826 240 HB2 TYR 32 HB2 TYR 32 6.169 -5.922 6.421 241 HB3 TYR 32 HB3 TYR 32 4.859 -6.244 5.344 242 HD1 TYR 32 HD1 TYR 32 7.368 -3.693 6.399 243 HD2 TYR 32 HD2 TYR 32 4.050 -4.482 3.760 244 HE1 TYR 32 HE1 TYR 32 7.898 -1.681 5.154 245 HE2 TYR 32 HE2 TYR 32 4.482 -2.393 2.568 246 HH TYR 32 HH TYR 32 7.414 -0.695 2.790 247 H ALA 33 HN ALA 33 2.256 -6.033 5.821 248 HA ALA 33 HA ALA 33 1.310 -3.707 4.605 249 HB1 ALA 33 HB1 ALA 33 -0.810 -5.014 4.231 250 HB2 ALA 33 HB2 ALA 33 0.634 -5.918 3.803 251 HB3 ALA 33 HB3 ALA 33 -0.203 -6.269 5.332 252 H ALA 34 HN ALA 34 1.022 -4.421 8.005 253 HA ALA 34 HA ALA 34 -1.377 -2.717 8.308 254 HB1 ALA 34 HB1 ALA 34 0.580 -3.762 10.389 255 HB2 ALA 34 HB2 ALA 34 -0.967 -2.945 10.694 256 HB3 ALA 34 HB3 ALA 34 -0.950 -4.529 9.893 257 H GLU 35 HN GLU 35 2.191 -2.324 8.329 258 HA GLU 35 HA GLU 35 2.134 0.215 9.724 259 HB2 GLU 35 HB2 GLU 35 4.262 -0.838 7.802 260 HB3 GLU 35 HB3 GLU 35 4.394 0.498 8.945 261 HG2 GLU 35 HG2 GLU 35 3.875 -1.364 10.733 262 HG3 GLU 35 HG3 GLU 35 4.400 -2.459 9.447 263 H VAL 36 HN VAL 36 2.389 -0.805 6.335 264 HA VAL 36 HA VAL 36 2.737 1.719 5.138 265 HB VAL 36 HB VAL 36 3.124 -0.671 4.177 266 HG11 VAL 36 HG11 VAL 36 0.220 -0.703 3.692 267 HG12 VAL 36 HG12 VAL 36 1.512 -1.819 3.182 268 HG13 VAL 36 HG13 VAL 36 1.176 -1.604 4.904 269 HG21 VAL 36 HG21 VAL 36 1.484 1.101 2.332 270 HG22 VAL 36 HG22 VAL 36 3.200 1.394 2.699 271 HG23 VAL 36 HG23 VAL 36 2.711 -0.101 1.878 272 H VAL 37 HN VAL 37 -0.075 0.513 6.626 273 HA VAL 37 HA VAL 37 -2.053 1.983 5.022 274 HB VAL 37 HB VAL 37 -2.087 0.131 7.433 275 HG11 VAL 37 HG11 VAL 37 -4.571 0.026 7.218 276 HG12 VAL 37 HG12 VAL 37 -3.926 1.554 7.864 277 HG13 VAL 37 HG13 VAL 37 -4.482 1.470 6.172 278 HG21 VAL 37 HG21 VAL 37 -3.011 -1.495 5.984 279 HG22 VAL 37 HG22 VAL 37 -3.275 -0.290 4.679 280 HG23 VAL 37 HG23 VAL 37 -1.627 -0.782 5.133 281 H LYS 38 HN LYS 38 -0.063 2.459 7.786 282 HA LYS 38 HA LYS 38 -1.673 4.573 8.983 283 HB2 LYS 38 HB2 LYS 38 0.406 2.831 9.787 284 HB3 LYS 38 HB3 LYS 38 1.186 4.432 9.737 285 HG2 LYS 38 HG2 LYS 38 -0.719 5.271 11.197 286 HG3 LYS 38 HG3 LYS 38 -1.376 3.615 11.132 287 HD2 LYS 38 HD2 LYS 38 -0.268 3.944 13.253 288 HD3 LYS 38 HD3 LYS 38 0.630 2.756 12.300 289 HE2 LYS 38 HE2 LYS 38 2.345 4.358 11.759 290 HE3 LYS 38 HE3 LYS 38 1.374 5.703 12.375 291 HZ1 LYS 38 HZ1 LYS 38 1.667 4.987 14.560 292 HZ2 LYS 38 HZ2 LYS 38 3.157 4.891 13.846 293 HZ3 LYS 38 HZ3 LYS 38 2.305 3.516 14.127 294 H ALA 39 HN ALA 39 -0.466 6.734 9.302 295 HA ALA 39 HA ALA 39 -0.043 8.717 8.461 296 HB1 ALA 39 HB1 ALA 39 2.222 7.892 7.997 297 HB2 ALA 39 HB2 ALA 39 1.707 7.421 6.353 298 HB3 ALA 39 HB3 ALA 39 1.676 9.119 6.846 299 H ASP 40 HN ASP 40 -0.882 6.454 5.866 300 HA ASP 40 HA ASP 40 -1.945 7.985 3.855 301 HB2 ASP 40 HB2 ASP 40 -1.564 5.528 3.934 302 HB3 ASP 40 HB3 ASP 40 -2.888 5.377 5.065 303 H PHE 41 HN PHE 41 -3.227 7.899 6.998 304 HA PHE 41 HA PHE 41 -5.855 8.956 6.109 305 HB2 PHE 41 HB2 PHE 41 -6.853 7.838 8.078 306 HB3 PHE 41 HB3 PHE 41 -6.357 6.809 6.774 307 HD1 PHE 41 HD2 PHE 41 -4.177 8.215 9.500 308 HD2 PHE 41 HD1 PHE 41 -6.086 4.747 7.839 309 HE1 PHE 41 HE2 PHE 41 -3.015 6.812 11.136 310 HE2 PHE 41 HE1 PHE 41 -4.934 3.321 9.533 311 HZ PHE 41 HZ PHE 41 -3.457 4.358 11.231 312 H GLU 42 HN GLU 42 -3.134 10.113 7.198 313 HA GLU 42 HA GLU 42 -4.504 12.097 8.820 314 HB2 GLU 42 HB2 GLU 42 -2.996 12.004 10.717 315 HB3 GLU 42 HB3 GLU 42 -3.949 10.544 10.563 316 HG2 GLU 42 HG2 GLU 42 -2.039 9.298 9.689 317 HG3 GLU 42 HG3 GLU 42 -1.057 10.784 9.648 318 H GLU 43 HN GLU 43 -1.474 11.210 7.008 319 HA GLU 43 HA GLU 43 -0.900 14.061 6.796 320 HB2 GLU 43 HB2 GLU 43 0.695 12.017 7.156 321 HB3 GLU 43 HB3 GLU 43 0.469 11.688 5.482 322 HG2 GLU 43 HG2 GLU 43 1.236 14.456 6.506 323 HG3 GLU 43 HG3 GLU 43 2.442 13.192 6.443 324 H ALA 44 HN ALA 44 -0.311 13.815 3.889 325 HA ALA 44 HA ALA 44 -2.983 14.295 2.811 326 HB1 ALA 44 HB1 ALA 44 -0.900 15.577 2.147 327 HB2 ALA 44 HB2 ALA 44 -0.317 14.083 1.393 328 HB3 ALA 44 HB3 ALA 44 -1.788 14.866 0.786 329 H GLY 45 HN GLY 45 -3.188 13.131 0.417 330 HA2 GLY 45 HA2 GLY 45 -3.830 10.449 0.955 331 HA3 GLY 45 HA1 GLY 45 -3.755 11.192 -0.630 332 H HIS 46 HN HIS 46 -0.700 11.730 0.083 333 HA HIS 46 HA HIS 46 0.385 9.080 0.349 334 HB2 HIS 46 HB2 HIS 46 1.458 8.977 -1.942 335 HB3 HIS 46 HB3 HIS 46 -0.252 8.736 -1.910 336 HD1 HIS 46 HD1 HIS 46 1.819 12.125 -2.341 337 HD2 HIS 46 HD2 HIS 46 -1.312 9.741 -3.944 338 HE1 HIS 46 HE1 HIS 46 1.003 13.325 -4.340 339 H GLU 47 HN GLU 47 0.880 12.335 0.842 340 HA GLU 47 HA GLU 47 3.587 12.626 -0.065 341 HB2 GLU 47 HB2 GLU 47 1.881 14.392 1.725 342 HB3 GLU 47 HB3 GLU 47 3.471 14.812 1.108 343 HG2 GLU 47 HG2 GLU 47 1.014 14.169 -0.610 344 HG3 GLU 47 HG3 GLU 47 1.572 15.776 -0.201 345 H ASP 48 HN ASP 48 2.351 10.954 2.594 346 HA ASP 48 HA ASP 48 5.136 10.672 3.570 347 HB2 ASP 48 HB2 ASP 48 3.732 11.932 5.136 348 HB3 ASP 48 HB3 ASP 48 2.667 10.546 5.379 349 H VAL 49 HN VAL 49 2.226 9.046 2.545 350 HA VAL 49 HA VAL 49 2.926 6.385 3.203 351 HB VAL 49 HB VAL 49 1.517 7.404 0.693 352 HG11 VAL 49 HG11 VAL 49 2.142 4.995 0.551 353 HG12 VAL 49 HG12 VAL 49 1.200 4.678 2.014 354 HG13 VAL 49 HG13 VAL 49 0.405 5.275 0.531 355 HG21 VAL 49 HG21 VAL 49 0.346 8.213 2.715 356 HG22 VAL 49 HG22 VAL 49 -0.595 6.937 1.970 357 HG23 VAL 49 HG23 VAL 49 0.387 6.596 3.422 358 H MET 50 HN MET 50 3.855 8.387 0.314 359 HA MET 50 HA MET 50 5.319 6.215 -0.833 360 HB2 MET 50 HB2 MET 50 5.869 9.092 -1.510 361 HB3 MET 50 HB3 MET 50 6.295 7.655 -2.420 362 HG2 MET 50 HG2 MET 50 3.455 8.473 -1.877 363 HG3 MET 50 HG3 MET 50 4.369 8.948 -3.289 364 HE1 MET 50 HE1 MET 50 2.565 6.274 -1.355 365 HE2 MET 50 HE2 MET 50 2.337 4.929 -2.493 366 HE3 MET 50 HE3 MET 50 3.871 5.079 -1.644 367 H ARG 51 HN ARG 51 6.528 9.014 1.166 368 HA ARG 51 HA ARG 51 9.159 8.190 1.295 369 HB2 ARG 51 HB2 ARG 51 7.344 9.672 3.236 370 HB3 ARG 51 HB3 ARG 51 9.024 9.331 3.558 371 HG2 ARG 51 HG2 ARG 51 9.446 10.351 1.170 372 HG3 ARG 51 HG3 ARG 51 7.868 11.102 1.390 373 HD2 ARG 51 HD2 ARG 51 9.537 11.456 3.780 374 HD3 ARG 51 HD3 ARG 51 10.410 11.971 2.353 375 HE ARG 51 HE ARG 51 7.979 13.116 3.518 376 HH11 ARG 51 HH11 ARG 51 9.956 13.075 0.553 377 HH12 ARG 51 HH12 ARG 51 9.633 14.726 0.135 378 HH21 ARG 51 HH21 ARG 51 7.612 15.337 3.032 379 HH22 ARG 51 HH22 ARG 51 8.339 16.060 1.640 380 H LYS 52 HN LYS 52 6.439 7.002 3.357 381 HA LYS 52 HA LYS 52 8.006 5.320 4.999 382 HB2 LYS 52 HB2 LYS 52 5.536 5.783 5.251 383 HB3 LYS 52 HB3 LYS 52 5.204 4.685 3.927 384 HG2 LYS 52 HG2 LYS 52 6.699 3.814 6.445 385 HG3 LYS 52 HG3 LYS 52 4.937 3.848 6.338 386 HD2 LYS 52 HD2 LYS 52 5.073 2.296 4.351 387 HD3 LYS 52 HD3 LYS 52 6.793 2.078 4.703 388 HE2 LYS 52 HE2 LYS 52 4.489 1.486 6.636 389 HE3 LYS 52 HE3 LYS 52 5.282 0.276 5.645 390 HZ1 LYS 52 HZ1 LYS 52 6.633 1.881 7.800 391 HZ2 LYS 52 HZ2 LYS 52 7.402 0.825 6.809 392 HZ3 LYS 52 HZ3 LYS 52 6.324 0.263 7.860 393 H VAL 53 HN VAL 53 6.408 4.442 1.827 394 HA VAL 53 HA VAL 53 7.487 1.802 2.080 395 HB VAL 53 HB VAL 53 5.348 2.441 0.920 396 HG11 VAL 53 HG11 VAL 53 6.010 4.385 -0.309 397 HG12 VAL 53 HG12 VAL 53 7.198 3.541 -1.272 398 HG13 VAL 53 HG13 VAL 53 5.462 3.185 -1.452 399 HG21 VAL 53 HG21 VAL 53 5.575 0.834 -0.921 400 HG22 VAL 53 HG22 VAL 53 7.343 0.867 -0.757 401 HG23 VAL 53 HG23 VAL 53 6.324 0.281 0.573 402 H LEU 54 HN LEU 54 8.611 4.731 0.455 403 HA LEU 54 HA LEU 54 10.549 3.492 -1.171 404 HB2 LEU 54 HB2 LEU 54 9.986 6.294 -0.206 405 HB3 LEU 54 HB3 LEU 54 11.612 5.970 -0.719 406 HG LEU 54 HG LEU 54 10.325 6.923 -2.467 407 HD11 LEU 54 HD11 LEU 54 10.869 4.091 -3.419 408 HD12 LEU 54 HD12 LEU 54 12.197 5.135 -2.841 409 HD13 LEU 54 HD13 LEU 54 11.213 5.650 -4.197 410 HD21 LEU 54 HD21 LEU 54 8.655 5.788 -3.792 411 HD22 LEU 54 HD22 LEU 54 8.107 6.205 -2.170 412 HD23 LEU 54 HD23 LEU 54 8.555 4.518 -2.547 413 H GLY 55 HN GLY 55 10.896 5.166 2.015 414 HA2 GLY 55 HA2 GLY 55 13.636 4.567 2.443 415 HA3 GLY 55 HA1 GLY 55 12.429 4.932 3.671 416 H ASP 56 HN ASP 56 10.598 2.805 3.333 417 HA ASP 56 HA ASP 56 11.913 0.732 4.788 418 HB2 ASP 56 HB2 ASP 56 9.172 1.064 3.559 419 HB3 ASP 56 HB3 ASP 56 9.672 -0.458 4.263 420 H LEU 57 HN LEU 57 11.530 1.174 1.287 421 HA LEU 57 HA LEU 57 11.993 -1.669 0.693 422 HB2 LEU 57 HB2 LEU 57 11.629 0.865 -0.878 423 HB3 LEU 57 HB3 LEU 57 12.730 -0.294 -1.585 424 HG LEU 57 HG LEU 57 9.832 -0.803 -0.899 425 HD11 LEU 57 HD11 LEU 57 11.446 -0.278 -3.424 426 HD12 LEU 57 HD12 LEU 57 10.019 0.566 -2.804 427 HD13 LEU 57 HD13 LEU 57 9.885 -1.074 -3.515 428 HD21 LEU 57 HD21 LEU 57 9.989 -2.952 -2.022 429 HD22 LEU 57 HD22 LEU 57 11.151 -2.964 -0.706 430 HD23 LEU 57 HD23 LEU 57 11.702 -2.708 -2.376 431 H ASP 58 HN ASP 58 13.907 1.066 1.521 432 HA ASP 58 HA ASP 58 16.105 1.476 1.646 433 HB2 ASP 58 HB2 ASP 58 15.929 -0.715 2.878 434 HB3 ASP 58 HB3 ASP 58 16.502 -1.513 1.421 435 H GLY 59 HN GLY 59 14.791 1.574 -0.901 436 HA2 GLY 59 HA2 GLY 59 15.395 2.130 -3.070 437 HA3 GLY 59 HA1 GLY 59 17.079 1.875 -2.631 438 H LYS 60 HN LYS 60 14.852 -0.871 -2.138 439 HA LYS 60 HA LYS 60 16.254 -2.502 -3.961 440 HB2 LYS 60 HB2 LYS 60 13.879 -2.653 -2.284 441 HB3 LYS 60 HB3 LYS 60 13.894 -3.781 -3.621 442 HG2 LYS 60 HG2 LYS 60 16.206 -4.498 -2.845 443 HG3 LYS 60 HG3 LYS 60 15.948 -3.479 -1.409 444 HD2 LYS 60 HD2 LYS 60 13.720 -4.834 -1.150 445 HD3 LYS 60 HD3 LYS 60 14.382 -5.937 -2.352 446 HE2 LYS 60 HE2 LYS 60 14.822 -6.794 -0.114 447 HE3 LYS 60 HE3 LYS 60 16.350 -6.370 -0.897 448 HZ1 LYS 60 HZ1 LYS 60 15.996 -5.607 1.472 449 HZ2 LYS 60 HZ2 LYS 60 14.948 -4.495 0.919 450 HZ3 LYS 60 HZ3 LYS 60 16.524 -4.453 0.463 451 H ARG 61 HN ARG 61 13.631 -0.263 -4.673 452 HA ARG 61 HA ARG 61 13.619 -1.165 -7.420 453 HB2 ARG 61 HB2 ARG 61 11.106 -1.173 -5.674 454 HB3 ARG 61 HB3 ARG 61 10.996 -0.890 -7.401 455 HG2 ARG 61 HG2 ARG 61 12.136 -3.429 -6.150 456 HG3 ARG 61 HG3 ARG 61 10.506 -3.214 -6.791 457 HD2 ARG 61 HD2 ARG 61 11.630 -2.507 -8.986 458 HD3 ARG 61 HD3 ARG 61 13.120 -3.177 -8.328 459 HE ARG 61 HE ARG 61 11.519 -5.303 -7.990 460 HH11 ARG 61 HH11 ARG 61 11.299 -3.121 -10.768 461 HH12 ARG 61 HH12 ARG 61 11.140 -4.351 -11.932 462 HH21 ARG 61 HH21 ARG 61 11.090 -6.890 -9.427 463 HH22 ARG 61 HH22 ARG 61 10.964 -6.632 -11.155 464 HA PRO 62 HA PRO 62 13.749 3.128 -7.808 465 HB2 PRO 62 HB2 PRO 62 12.380 3.642 -10.182 466 HB3 PRO 62 HB3 PRO 62 14.047 3.036 -10.075 467 HG2 PRO 62 HG2 PRO 62 11.504 1.489 -10.517 468 HG3 PRO 62 HG3 PRO 62 13.092 1.240 -11.296 469 HD2 PRO 62 HD2 PRO 62 12.214 -0.326 -9.279 470 HD3 PRO 62 HD3 PRO 62 13.938 0.121 -9.432 471 H GLU 63 HN GLU 63 12.673 5.023 -7.533 472 HA GLU 63 HA GLU 63 10.301 5.085 -6.045 473 HB2 GLU 63 HB2 GLU 63 12.001 6.848 -6.030 474 HB3 GLU 63 HB3 GLU 63 11.682 7.254 -7.714 475 HG2 GLU 63 HG2 GLU 63 9.801 8.451 -7.269 476 HG3 GLU 63 HG3 GLU 63 9.269 7.365 -5.998 477 H ALA 64 HN ALA 64 10.759 5.573 -9.529 478 HA ALA 64 HA ALA 64 8.129 6.461 -10.119 479 HB1 ALA 64 HB1 ALA 64 8.733 5.968 -12.437 480 HB2 ALA 64 HB2 ALA 64 10.113 6.716 -11.602 481 HB3 ALA 64 HB3 ALA 64 10.101 4.975 -11.889 482 H GLU 65 HN GLU 65 9.558 3.078 -10.168 483 HA GLU 65 HA GLU 65 7.161 1.856 -11.093 484 HB2 GLU 65 HB2 GLU 65 9.424 0.871 -11.192 485 HB3 GLU 65 HB3 GLU 65 9.469 0.745 -9.415 486 HG2 GLU 65 HG2 GLU 65 7.523 -0.764 -9.459 487 HG3 GLU 65 HG3 GLU 65 7.378 -0.509 -11.213 488 H VAL 66 HN VAL 66 8.539 2.378 -7.824 489 HA VAL 66 HA VAL 66 6.618 0.947 -6.378 490 HB VAL 66 HB VAL 66 8.411 3.301 -5.618 491 HG11 VAL 66 HG11 VAL 66 6.665 1.569 -3.825 492 HG12 VAL 66 HG12 VAL 66 8.114 2.392 -3.242 493 HG13 VAL 66 HG13 VAL 66 6.764 3.338 -3.879 494 HG21 VAL 66 HG21 VAL 66 8.664 0.327 -5.016 495 HG22 VAL 66 HG22 VAL 66 9.438 1.084 -6.406 496 HG23 VAL 66 HG23 VAL 66 9.888 1.611 -4.800 497 H ARG 67 HN ARG 67 6.587 4.496 -7.120 498 HA ARG 67 HA ARG 67 4.033 4.796 -5.781 499 HB2 ARG 67 HB2 ARG 67 4.008 7.041 -6.502 500 HB3 ARG 67 HB3 ARG 67 5.577 6.562 -5.884 501 HG2 ARG 67 HG2 ARG 67 6.017 6.229 -8.565 502 HG3 ARG 67 HG3 ARG 67 4.797 7.496 -8.599 503 HD2 ARG 67 HD2 ARG 67 7.514 7.535 -7.248 504 HD3 ARG 67 HD3 ARG 67 6.956 8.556 -8.560 505 HE ARG 67 HE ARG 67 5.708 9.860 -7.056 506 HH11 ARG 67 HH11 ARG 67 7.690 7.541 -5.230 507 HH12 ARG 67 HH12 ARG 67 7.783 8.644 -3.883 508 HH21 ARG 67 HH21 ARG 67 5.540 10.978 -5.166 509 HH22 ARG 67 HH22 ARG 67 6.570 10.557 -3.831 510 H ALA 68 HN ALA 68 4.839 4.087 -9.186 511 HA ALA 68 HA ALA 68 2.141 4.309 -10.118 512 HB1 ALA 68 HB1 ALA 68 4.392 2.492 -11.082 513 HB2 ALA 68 HB2 ALA 68 2.872 2.833 -11.943 514 HB3 ALA 68 HB3 ALA 68 4.022 4.146 -11.643 515 H LYS 69 HN LYS 69 3.915 1.554 -8.578 516 HA LYS 69 HA LYS 69 1.948 -0.430 -8.926 517 HB2 LYS 69 HB2 LYS 69 4.267 -0.683 -7.858 518 HB3 LYS 69 HB3 LYS 69 3.512 -0.130 -6.356 519 HG2 LYS 69 HG2 LYS 69 3.189 -2.385 -6.106 520 HG3 LYS 69 HG3 LYS 69 1.707 -2.030 -6.939 521 HD2 LYS 69 HD2 LYS 69 2.867 -2.691 -9.132 522 HD3 LYS 69 HD3 LYS 69 4.258 -3.165 -8.130 523 HE2 LYS 69 HE2 LYS 69 3.140 -5.181 -8.362 524 HE3 LYS 69 HE3 LYS 69 2.640 -4.592 -6.771 525 HZ1 LYS 69 HZ1 LYS 69 0.708 -5.309 -7.833 526 HZ2 LYS 69 HZ2 LYS 69 1.118 -4.685 -9.273 527 HZ3 LYS 69 HZ3 LYS 69 0.634 -3.677 -8.044 528 H TYR 70 HN TYR 70 2.122 2.164 -6.399 529 HA TYR 70 HA TYR 70 -0.135 1.238 -4.871 530 HB2 TYR 70 HB2 TYR 70 1.659 2.779 -4.019 531 HB3 TYR 70 HB3 TYR 70 1.065 4.037 -5.094 532 HD1 TYR 70 HD1 TYR 70 -0.588 1.608 -2.634 533 HD2 TYR 70 HD2 TYR 70 0.205 5.708 -3.760 534 HE1 TYR 70 HE1 TYR 70 -2.187 2.430 -0.919 535 HE2 TYR 70 HE2 TYR 70 -1.348 6.521 -1.989 536 HH TYR 70 HH TYR 70 -2.837 5.653 0.058 537 H GLU 71 HN GLU 71 0.179 3.899 -7.285 538 HA GLU 71 HA GLU 71 -2.532 4.605 -7.289 539 HB2 GLU 71 HB2 GLU 71 -0.257 4.923 -9.276 540 HB3 GLU 71 HB3 GLU 71 -1.893 5.259 -9.834 541 HG2 GLU 71 HG2 GLU 71 -0.550 6.603 -7.491 542 HG3 GLU 71 HG3 GLU 71 -0.859 7.304 -9.081 543 H GLY 72 HN GLY 72 -0.957 2.049 -9.220 544 HA2 GLY 72 HA2 GLY 72 -3.138 1.620 -11.001 545 HA3 GLY 72 HA1 GLY 72 -1.836 0.474 -10.629 546 H LEU 73 HN LEU 73 -2.923 0.872 -7.626 547 HA LEU 73 HA LEU 73 -4.491 -1.558 -7.831 548 HB2 LEU 73 HB2 LEU 73 -2.334 -0.851 -6.307 549 HB3 LEU 73 HB3 LEU 73 -3.624 -0.416 -5.205 550 HG LEU 73 HG LEU 73 -4.519 -2.781 -5.318 551 HD11 LEU 73 HD11 LEU 73 -2.946 -4.477 -6.408 552 HD12 LEU 73 HD12 LEU 73 -2.056 -3.146 -7.152 553 HD13 LEU 73 HD13 LEU 73 -3.732 -3.474 -7.609 554 HD21 LEU 73 HD21 LEU 73 -2.848 -2.166 -3.612 555 HD22 LEU 73 HD22 LEU 73 -1.552 -2.392 -4.785 556 HD23 LEU 73 HD23 LEU 73 -2.404 -3.788 -4.276 557 H MET 74 HN MET 74 -5.351 1.709 -7.528 558 HA MET 74 HA MET 74 -7.333 1.565 -5.482 559 HB2 MET 74 HB2 MET 74 -6.848 3.704 -6.467 560 HB3 MET 74 HB3 MET 74 -7.354 3.166 -8.078 561 HG2 MET 74 HG2 MET 74 -9.621 3.110 -7.529 562 HG3 MET 74 HG3 MET 74 -9.322 2.900 -5.802 563 HE1 MET 74 HE1 MET 74 -8.656 6.344 -4.398 564 HE2 MET 74 HE2 MET 74 -9.139 4.678 -4.059 565 HE3 MET 74 HE3 MET 74 -7.555 5.028 -4.789 566 H ALA 75 HN ALA 75 -7.537 0.729 -8.961 567 HA ALA 75 HA ALA 75 -10.181 -0.127 -9.016 568 HB1 ALA 75 HB1 ALA 75 -7.733 -1.235 -10.479 569 HB2 ALA 75 HB2 ALA 75 -9.400 -1.570 -10.936 570 HB3 ALA 75 HB3 ALA 75 -8.779 0.096 -11.051 571 H VAL 76 HN VAL 76 -7.229 -2.049 -8.195 572 HA VAL 76 HA VAL 76 -8.749 -4.494 -8.094 573 HB VAL 76 HB VAL 76 -6.001 -4.020 -6.876 574 HG11 VAL 76 HG11 VAL 76 -7.001 -6.224 -6.407 575 HG12 VAL 76 HG12 VAL 76 -7.285 -6.479 -8.146 576 HG13 VAL 76 HG13 VAL 76 -5.630 -6.361 -7.517 577 HG21 VAL 76 HG21 VAL 76 -6.730 -4.560 -9.801 578 HG22 VAL 76 HG22 VAL 76 -5.849 -3.147 -9.179 579 HG23 VAL 76 HG23 VAL 76 -5.098 -4.739 -9.139 580 H ALA 77 HN ALA 77 -7.560 -2.169 -5.679 581 HA ALA 77 HA ALA 77 -8.215 -3.537 -3.349 582 HB1 ALA 77 HB1 ALA 77 -8.210 -1.280 -2.308 583 HB2 ALA 77 HB2 ALA 77 -6.837 -1.540 -3.403 584 HB3 ALA 77 HB3 ALA 77 -8.213 -0.541 -3.917 585 H LYS 78 HN LYS 78 -10.123 -1.247 -5.346 586 HA LYS 78 HA LYS 78 -12.505 -1.292 -3.673 587 HB2 LYS 78 HB2 LYS 78 -11.863 -0.300 -6.514 588 HB3 LYS 78 HB3 LYS 78 -13.485 -0.226 -5.809 589 HG2 LYS 78 HG2 LYS 78 -12.457 1.019 -3.820 590 HG3 LYS 78 HG3 LYS 78 -11.003 1.172 -4.777 591 HD2 LYS 78 HD2 LYS 78 -12.249 3.167 -5.085 592 HD3 LYS 78 HD3 LYS 78 -12.406 2.254 -6.600 593 HE2 LYS 78 HE2 LYS 78 -14.655 1.642 -6.153 594 HE3 LYS 78 HE3 LYS 78 -14.449 1.834 -4.403 595 HZ1 LYS 78 HZ1 LYS 78 -14.363 4.197 -4.695 596 HZ2 LYS 78 HZ2 LYS 78 -15.778 3.629 -5.243 597 HZ3 LYS 78 HZ3 LYS 78 -14.585 4.081 -6.304 598 H ALA 79 HN ALA 79 -11.447 -3.216 -6.481 599 HA ALA 79 HA ALA 79 -13.958 -4.516 -6.912 600 HB1 ALA 79 HB1 ALA 79 -11.931 -4.715 -8.405 601 HB2 ALA 79 HB2 ALA 79 -11.161 -5.698 -7.155 602 HB3 ALA 79 HB3 ALA 79 -12.643 -6.274 -7.935 603 H GLN 80 HN GLN 80 -11.098 -5.449 -4.889 604 HA GLN 80 HA GLN 80 -12.232 -7.730 -3.762 605 HB2 GLN 80 HB2 GLN 80 -10.056 -5.880 -2.847 606 HB3 GLN 80 HB3 GLN 80 -10.607 -7.208 -1.829 607 HG2 GLN 80 HG2 GLN 80 -10.211 -8.814 -3.709 608 HG3 GLN 80 HG3 GLN 80 -9.522 -7.479 -4.664 609 HE21 GLN 80 HE21 GLN 80 -7.693 -9.374 -4.441 610 HE22 GLN 80 HE22 GLN 80 -6.554 -9.023 -3.149 611 H LEU 81 HN LEU 81 -13.023 -4.444 -2.798 612 HA LEU 81 HA LEU 81 -14.063 -5.301 -0.176 613 HB2 LEU 81 HB2 LEU 81 -14.121 -2.720 -1.791 614 HB3 LEU 81 HB3 LEU 81 -15.008 -2.895 -0.270 615 HG LEU 81 HG LEU 81 -12.048 -3.550 -0.355 616 HD11 LEU 81 HD11 LEU 81 -13.267 -0.795 0.077 617 HD12 LEU 81 HD12 LEU 81 -12.278 -1.293 -1.311 618 HD13 LEU 81 HD13 LEU 81 -11.565 -1.241 0.306 619 HD21 LEU 81 HD21 LEU 81 -13.907 -2.505 1.840 620 HD22 LEU 81 HD22 LEU 81 -12.179 -2.872 2.024 621 HD23 LEU 81 HD23 LEU 81 -13.319 -4.177 1.672 622 H MET 82 HN MET 82 -15.425 -4.545 -3.410 623 HA MET 82 HA MET 82 -18.175 -5.013 -2.518 624 HB2 MET 82 HB2 MET 82 -16.814 -4.571 -5.196 625 HB3 MET 82 HB3 MET 82 -18.557 -4.788 -5.021 626 HG2 MET 82 HG2 MET 82 -16.986 -2.678 -3.493 627 HG3 MET 82 HG3 MET 82 -17.683 -2.394 -5.068 628 HE1 MET 82 HE1 MET 82 -18.402 -0.391 -2.923 629 HE2 MET 82 HE2 MET 82 -19.735 -0.757 -1.805 630 HE3 MET 82 HE3 MET 82 -18.141 -1.533 -1.577 631 H ASP 83 HN ASP 83 -15.580 -6.776 -4.119 632 HA ASP 83 HA ASP 83 -16.910 -9.153 -4.891 633 HB2 ASP 83 HB2 ASP 83 -14.686 -8.251 -5.578 634 HB3 ASP 83 HB3 ASP 83 -14.082 -8.571 -3.947 635 H GLU 84 HN GLU 84 -15.538 -8.070 -1.781 636 HA GLU 84 HA GLU 84 -16.248 -10.596 -0.397 637 HB2 GLU 84 HB2 GLU 84 -14.785 -8.037 0.325 638 HB3 GLU 84 HB3 GLU 84 -15.325 -9.111 1.554 639 HG2 GLU 84 HG2 GLU 84 -14.031 -10.982 0.581 640 HG3 GLU 84 HG3 GLU 84 -13.326 -9.847 -0.584 641 H LEU 85 HN LEU 85 -18.154 -8.029 -1.391 642 HA LEU 85 HA LEU 85 -19.198 -7.077 1.170 643 HB2 LEU 85 HB2 LEU 85 -19.371 -5.630 -0.802 644 HB3 LEU 85 HB3 LEU 85 -20.254 -6.889 -1.670 645 HG LEU 85 HG LEU 85 -22.153 -6.688 -0.037 646 HD11 LEU 85 HD11 LEU 85 -20.538 -4.292 0.928 647 HD12 LEU 85 HD12 LEU 85 -20.918 -5.761 1.883 648 HD13 LEU 85 HD13 LEU 85 -22.220 -4.675 1.396 649 HD21 LEU 85 HD21 LEU 85 -21.308 -4.167 -1.519 650 HD22 LEU 85 HD22 LEU 85 -22.959 -4.541 -0.928 651 HD23 LEU 85 HD23 LEU 85 -22.214 -5.546 -2.174 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -18.938 9.483 1.983 2 HA2 GLY 1 HA2 GLY 1 -18.568 8.178 -0.054 3 HA3 GLY 1 HA1 GLY 1 -17.128 9.123 0.380 4 H MET 2 HN MET 2 -16.858 6.859 -1.253 5 HA MET 2 HA MET 2 -16.034 4.588 0.407 6 HB2 MET 2 HB2 MET 2 -15.421 3.553 -1.711 7 HB3 MET 2 HB3 MET 2 -17.079 4.117 -1.703 8 HG2 MET 2 HG2 MET 2 -14.982 5.946 -2.862 9 HG3 MET 2 HG3 MET 2 -15.389 4.502 -3.769 10 HE1 MET 2 HE1 MET 2 -19.042 4.988 -4.839 11 HE2 MET 2 HE2 MET 2 -17.520 4.125 -5.149 12 HE3 MET 2 HE3 MET 2 -18.344 3.950 -3.582 13 H GLN 3 HN GLN 3 -14.570 6.568 1.477 14 HA GLN 3 HA GLN 3 -12.031 6.800 -0.044 15 HB2 GLN 3 HB2 GLN 3 -13.540 8.434 1.965 16 HB3 GLN 3 HB3 GLN 3 -11.788 8.543 2.013 17 HG2 GLN 3 HG2 GLN 3 -12.888 10.292 0.577 18 HG3 GLN 3 HG3 GLN 3 -11.631 9.374 -0.195 19 HE21 GLN 3 HE21 GLN 3 -12.087 8.358 -2.099 20 HE22 GLN 3 HE22 GLN 3 -13.657 8.250 -2.856 21 H PHE 4 HN PHE 4 -13.067 5.736 3.013 22 HA PHE 4 HA PHE 4 -10.363 5.386 4.203 23 HB2 PHE 4 HB2 PHE 4 -13.030 5.849 5.264 24 HB3 PHE 4 HB3 PHE 4 -12.296 4.492 6.046 25 HD1 PHE 4 HD1 PHE 4 -10.925 7.785 4.762 26 HD2 PHE 4 HD2 PHE 4 -11.453 5.116 8.111 27 HE1 PHE 4 HE1 PHE 4 -9.669 9.327 6.188 28 HE2 PHE 4 HE2 PHE 4 -10.151 6.683 9.543 29 HZ PHE 4 HZ PHE 4 -9.280 8.810 8.587 30 H LYS 5 HN LYS 5 -13.433 3.655 3.779 31 HA LYS 5 HA LYS 5 -12.622 1.031 4.308 32 HB2 LYS 5 HB2 LYS 5 -14.716 2.138 2.382 33 HB3 LYS 5 HB3 LYS 5 -14.549 0.421 2.700 34 HG2 LYS 5 HG2 LYS 5 -15.329 0.518 4.839 35 HG3 LYS 5 HG3 LYS 5 -14.839 2.188 5.119 36 HD2 LYS 5 HD2 LYS 5 -17.148 1.410 3.279 37 HD3 LYS 5 HD3 LYS 5 -17.327 1.796 5.004 38 HE2 LYS 5 HE2 LYS 5 -16.207 3.982 4.630 39 HE3 LYS 5 HE3 LYS 5 -16.154 3.646 2.895 40 HZ1 LYS 5 HZ1 LYS 5 -18.071 5.066 3.756 41 HZ2 LYS 5 HZ2 LYS 5 -18.740 3.692 4.319 42 HZ3 LYS 5 HZ3 LYS 5 -18.435 3.874 2.721 43 H ALA 6 HN ALA 6 -12.254 2.922 1.287 44 HA ALA 6 HA ALA 6 -10.979 0.685 -0.097 45 HB1 ALA 6 HB1 ALA 6 -12.375 2.181 -1.417 46 HB2 ALA 6 HB2 ALA 6 -11.402 3.580 -0.889 47 HB3 ALA 6 HB3 ALA 6 -10.684 2.327 -1.921 48 H GLU 7 HN GLU 7 -9.997 3.787 1.571 49 HA GLU 7 HA GLU 7 -7.390 3.942 0.619 50 HB2 GLU 7 HB2 GLU 7 -8.826 4.799 3.083 51 HB3 GLU 7 HB3 GLU 7 -7.102 4.728 3.273 52 HG2 GLU 7 HG2 GLU 7 -6.665 6.429 1.747 53 HG3 GLU 7 HG3 GLU 7 -8.171 6.196 0.863 54 H ALA 8 HN ALA 8 -8.285 2.293 3.700 55 HA ALA 8 HA ALA 8 -5.672 1.340 4.137 56 HB1 ALA 8 HB1 ALA 8 -8.318 0.261 5.153 57 HB2 ALA 8 HB2 ALA 8 -6.728 -0.218 5.773 58 HB3 ALA 8 HB3 ALA 8 -7.275 1.461 5.936 59 H ARG 9 HN ARG 9 -8.332 -0.266 2.310 60 HA ARG 9 HA ARG 9 -6.884 -2.737 2.045 61 HB2 ARG 9 HB2 ARG 9 -9.348 -2.489 1.750 62 HB3 ARG 9 HB3 ARG 9 -9.080 -1.652 0.235 63 HG2 ARG 9 HG2 ARG 9 -9.747 -4.052 0.034 64 HG3 ARG 9 HG3 ARG 9 -8.265 -3.650 -0.830 65 HD2 ARG 9 HD2 ARG 9 -6.909 -4.897 0.570 66 HD3 ARG 9 HD3 ARG 9 -7.961 -4.763 1.953 67 HE ARG 9 HE ARG 9 -8.113 -6.719 -0.231 68 HH11 ARG 9 HH11 ARG 9 -9.743 -5.482 2.723 69 HH12 ARG 9 HH12 ARG 9 -10.746 -6.895 2.843 70 HH21 ARG 9 HH21 ARG 9 -9.301 -8.655 0.169 71 HH22 ARG 9 HH22 ARG 9 -10.451 -8.734 1.447 72 H ARG 10 HN ARG 10 -6.826 0.282 0.170 73 HA ARG 10 HA ARG 10 -5.177 -0.582 -2.064 74 HB2 ARG 10 HB2 ARG 10 -6.498 1.710 -1.457 75 HB3 ARG 10 HB3 ARG 10 -4.921 2.136 -0.803 76 HG2 ARG 10 HG2 ARG 10 -3.988 1.393 -3.136 77 HG3 ARG 10 HG3 ARG 10 -5.687 1.492 -3.673 78 HD2 ARG 10 HD2 ARG 10 -4.097 3.704 -2.357 79 HD3 ARG 10 HD3 ARG 10 -4.434 3.585 -4.079 80 HE ARG 10 HE ARG 10 -6.904 3.730 -3.398 81 HH11 ARG 10 HH11 ARG 10 -4.558 5.298 -1.158 82 HH12 ARG 10 HH12 ARG 10 -5.210 6.855 -1.445 83 HH21 ARG 10 HH21 ARG 10 -8.023 5.665 -3.272 84 HH22 ARG 10 HH22 ARG 10 -7.297 7.065 -2.522 85 H ASN 11 HN ASN 11 -4.245 0.995 1.080 86 HA ASN 11 HA ASN 11 -1.484 0.523 0.494 87 HB2 ASN 11 HB2 ASN 11 -2.826 1.124 3.155 88 HB3 ASN 11 HB3 ASN 11 -1.099 0.917 2.940 89 HD21 ASN 11 HD21 ASN 11 -2.970 3.475 3.482 90 HD22 ASN 11 HD22 ASN 11 -2.230 4.569 2.393 91 H LYS 12 HN LYS 12 -3.817 -1.539 2.312 92 HA LYS 12 HA LYS 12 -1.973 -3.416 3.281 93 HB2 LYS 12 HB2 LYS 12 -4.384 -3.318 3.845 94 HB3 LYS 12 HB3 LYS 12 -4.805 -3.924 2.236 95 HG2 LYS 12 HG2 LYS 12 -3.657 -6.052 2.700 96 HG3 LYS 12 HG3 LYS 12 -3.064 -5.408 4.245 97 HD2 LYS 12 HD2 LYS 12 -5.466 -5.114 4.968 98 HD3 LYS 12 HD3 LYS 12 -5.967 -5.999 3.504 99 HE2 LYS 12 HE2 LYS 12 -4.790 -7.991 4.217 100 HE3 LYS 12 HE3 LYS 12 -3.902 -7.098 5.442 101 HZ1 LYS 12 HZ1 LYS 12 -6.015 -6.729 6.587 102 HZ2 LYS 12 HZ2 LYS 12 -5.555 -8.287 6.538 103 HZ3 LYS 12 HZ3 LYS 12 -6.780 -7.782 5.574 104 H LEU 13 HN LEU 13 -3.726 -3.507 0.150 105 HA LEU 13 HA LEU 13 -2.434 -5.806 -0.925 106 HB2 LEU 13 HB2 LEU 13 -3.858 -3.425 -2.082 107 HB3 LEU 13 HB3 LEU 13 -3.073 -4.621 -3.138 108 HG LEU 13 HG LEU 13 -5.346 -5.121 -1.175 109 HD11 LEU 13 HD11 LEU 13 -5.234 -5.153 -4.226 110 HD12 LEU 13 HD12 LEU 13 -5.845 -3.805 -3.255 111 HD13 LEU 13 HD13 LEU 13 -6.678 -5.380 -3.212 112 HD21 LEU 13 HD21 LEU 13 -3.885 -6.988 -3.091 113 HD22 LEU 13 HD22 LEU 13 -5.450 -7.344 -2.340 114 HD23 LEU 13 HD23 LEU 13 -4.036 -7.163 -1.321 115 H MET 14 HN MET 14 -1.462 -2.241 -1.153 116 HA MET 14 HA MET 14 0.795 -2.690 -2.720 117 HB2 MET 14 HB2 MET 14 -0.111 -0.511 -2.293 118 HB3 MET 14 HB3 MET 14 0.201 -0.625 -0.571 119 HG2 MET 14 HG2 MET 14 1.801 0.818 -1.688 120 HG3 MET 14 HG3 MET 14 2.584 -0.533 -0.883 121 HE1 MET 14 HE1 MET 14 4.768 0.515 -2.508 122 HE2 MET 14 HE2 MET 14 4.467 0.772 -4.248 123 HE3 MET 14 HE3 MET 14 3.469 1.616 -3.033 124 H GLY 15 HN GLY 15 0.587 -2.674 0.916 125 HA2 GLY 15 HA2 GLY 15 3.362 -3.081 1.230 126 HA3 GLY 15 HA1 GLY 15 2.181 -3.430 2.488 127 H LEU 16 HN LEU 16 0.782 -5.495 0.654 128 HA LEU 16 HA LEU 16 2.320 -7.817 1.272 129 HB2 LEU 16 HB2 LEU 16 0.071 -7.193 -0.645 130 HB3 LEU 16 HB3 LEU 16 0.846 -8.769 -0.694 131 HG LEU 16 HG LEU 16 -0.257 -7.637 1.902 132 HD11 LEU 16 HD11 LEU 16 -1.717 -9.248 -0.229 133 HD12 LEU 16 HD12 LEU 16 -2.116 -7.618 0.350 134 HD13 LEU 16 HD13 LEU 16 -2.310 -9.006 1.428 135 HD21 LEU 16 HD21 LEU 16 -0.337 -10.011 2.561 136 HD22 LEU 16 HD22 LEU 16 1.295 -9.602 2.024 137 HD23 LEU 16 HD23 LEU 16 0.225 -10.499 0.952 138 H TRP 17 HN TRP 17 2.145 -5.874 -1.776 139 HA TRP 17 HA TRP 17 4.116 -7.455 -3.168 140 HB2 TRP 17 HB2 TRP 17 2.593 -5.965 -4.383 141 HB3 TRP 17 HB3 TRP 17 3.243 -4.560 -3.548 142 HD1 TRP 17 HD1 TRP 17 4.705 -7.353 -5.795 143 HE1 TRP 17 HE1 TRP 17 6.583 -6.444 -7.183 144 HE3 TRP 17 HE3 TRP 17 4.730 -2.593 -3.994 145 HZ2 TRP 17 HZ2 TRP 17 7.556 -3.721 -7.917 146 HZ3 TRP 17 HZ3 TRP 17 6.081 -0.829 -5.112 147 HH2 TRP 17 HH2 TRP 17 7.496 -1.409 -7.098 148 H VAL 18 HN VAL 18 4.361 -4.413 -1.216 149 HA VAL 18 HA VAL 18 7.117 -4.038 -1.727 150 HB VAL 18 HB VAL 18 5.452 -3.152 0.631 151 HG11 VAL 18 HG11 VAL 18 7.785 -2.862 1.242 152 HG12 VAL 18 HG12 VAL 18 8.150 -2.154 -0.349 153 HG13 VAL 18 HG13 VAL 18 7.121 -1.281 0.807 154 HG21 VAL 18 HG21 VAL 18 5.061 -1.106 -0.515 155 HG22 VAL 18 HG22 VAL 18 6.202 -1.521 -1.810 156 HG23 VAL 18 HG23 VAL 18 4.664 -2.373 -1.668 157 H ALA 19 HN ALA 19 5.553 -5.736 1.042 158 HA ALA 19 HA ALA 19 7.894 -6.623 2.311 159 HB1 ALA 19 HB1 ALA 19 5.607 -6.777 3.216 160 HB2 ALA 19 HB2 ALA 19 5.215 -8.051 2.040 161 HB3 ALA 19 HB3 ALA 19 6.432 -8.327 3.303 162 H GLU 20 HN GLU 20 6.026 -8.223 -0.350 163 HA GLU 20 HA GLU 20 7.647 -10.520 -0.623 164 HB2 GLU 20 HB2 GLU 20 5.574 -10.531 -1.612 165 HB3 GLU 20 HB3 GLU 20 5.758 -8.965 -2.398 166 HG2 GLU 20 HG2 GLU 20 7.420 -9.986 -3.969 167 HG3 GLU 20 HG3 GLU 20 7.039 -11.574 -3.267 168 H VAL 21 HN VAL 21 7.899 -7.345 -2.294 169 HA VAL 21 HA VAL 21 10.257 -7.867 -3.777 170 HB VAL 21 HB VAL 21 8.939 -5.358 -2.661 171 HG11 VAL 21 HG11 VAL 21 10.526 -4.073 -4.202 172 HG12 VAL 21 HG12 VAL 21 11.213 -4.690 -2.688 173 HG13 VAL 21 HG13 VAL 21 11.562 -5.519 -4.178 174 HG21 VAL 21 HG21 VAL 21 8.438 -4.929 -5.005 175 HG22 VAL 21 HG22 VAL 21 9.346 -6.373 -5.509 176 HG23 VAL 21 HG23 VAL 21 7.856 -6.536 -4.562 177 H LEU 22 HN LEU 22 9.846 -6.586 -0.426 178 HA LEU 22 HA LEU 22 12.609 -6.247 0.080 179 HB2 LEU 22 HB2 LEU 22 10.185 -6.606 1.826 180 HB3 LEU 22 HB3 LEU 22 11.771 -6.708 2.558 181 HG LEU 22 HG LEU 22 10.956 -4.337 0.834 182 HD11 LEU 22 HD11 LEU 22 9.369 -4.502 2.688 183 HD12 LEU 22 HD12 LEU 22 10.501 -3.168 2.986 184 HD13 LEU 22 HD13 LEU 22 10.700 -4.704 3.849 185 HD21 LEU 22 HD21 LEU 22 13.137 -4.737 2.941 186 HD22 LEU 22 HD22 LEU 22 12.779 -3.215 2.118 187 HD23 LEU 22 HD23 LEU 22 13.400 -4.577 1.188 188 H GLY 23 HN GLY 23 10.701 -9.227 -0.039 189 HA2 GLY 23 HA2 GLY 23 11.739 -11.357 -0.174 190 HA3 GLY 23 HA1 GLY 23 13.162 -10.748 0.694 191 H LYS 24 HN LYS 24 10.220 -9.627 2.029 192 HA LYS 24 HA LYS 24 10.208 -11.495 4.322 193 HB2 LYS 24 HB2 LYS 24 8.320 -9.311 3.353 194 HB3 LYS 24 HB3 LYS 24 8.002 -10.306 4.754 195 HG2 LYS 24 HG2 LYS 24 10.085 -9.449 5.807 196 HG3 LYS 24 HG3 LYS 24 10.347 -8.374 4.431 197 HD2 LYS 24 HD2 LYS 24 8.464 -7.034 4.962 198 HD3 LYS 24 HD3 LYS 24 7.694 -8.301 5.895 199 HE2 LYS 24 HE2 LYS 24 8.571 -6.461 7.344 200 HE3 LYS 24 HE3 LYS 24 9.147 -8.073 7.738 201 HZ1 LYS 24 HZ1 LYS 24 10.735 -5.986 6.394 202 HZ2 LYS 24 HZ2 LYS 24 11.254 -7.557 6.631 203 HZ3 LYS 24 HZ3 LYS 24 10.925 -6.571 7.879 204 H SER 25 HN SER 25 8.375 -12.966 4.539 205 HA SER 25 HA SER 25 6.317 -13.329 2.665 206 HB2 SER 25 HB2 SER 25 8.734 -15.155 2.296 207 HB3 SER 25 HB3 SER 25 7.091 -15.666 1.877 208 HG SER 25 HG SER 25 8.158 -13.232 0.932 209 H GLY 26 HN GLY 26 5.292 -15.676 3.257 210 HA2 GLY 26 HA2 GLY 26 4.188 -16.671 5.007 211 HA3 GLY 26 HA1 GLY 26 5.626 -16.458 6.031 212 H ASP 27 HN ASP 27 4.485 -15.589 7.814 213 HA ASP 27 HA ASP 27 2.386 -13.645 7.436 214 HB2 ASP 27 HB2 ASP 27 3.494 -15.271 9.590 215 HB3 ASP 27 HB3 ASP 27 2.834 -13.735 10.097 216 H GLU 28 HN GLU 28 5.748 -13.390 8.096 217 HA GLU 28 HA GLU 28 6.164 -10.757 8.970 218 HB2 GLU 28 HB2 GLU 28 7.484 -12.764 7.241 219 HB3 GLU 28 HB3 GLU 28 7.850 -11.147 6.756 220 HG2 GLU 28 HG2 GLU 28 8.123 -12.022 9.626 221 HG3 GLU 28 HG3 GLU 28 9.371 -12.358 8.446 222 H ALA 29 HN ALA 29 5.035 -11.914 5.756 223 HA ALA 29 HA ALA 29 4.874 -9.184 4.702 224 HB1 ALA 29 HB1 ALA 29 3.969 -11.829 3.498 225 HB2 ALA 29 HB2 ALA 29 4.079 -10.279 2.654 226 HB3 ALA 29 HB3 ALA 29 5.556 -11.060 3.242 227 H ASN 30 HN ASN 30 2.911 -10.834 6.864 228 HA ASN 30 HA ASN 30 0.446 -9.413 5.921 229 HB2 ASN 30 HB2 ASN 30 0.842 -11.602 7.993 230 HB3 ASN 30 HB3 ASN 30 -0.565 -10.562 7.988 231 HD21 ASN 30 HD21 ASN 30 -0.074 -13.550 7.349 232 HD22 ASN 30 HD22 ASN 30 -0.898 -13.771 5.820 233 H ALA 31 HN ALA 31 2.936 -9.591 8.416 234 HA ALA 31 HA ALA 31 1.813 -7.663 10.220 235 HB1 ALA 31 HB1 ALA 31 4.738 -8.442 9.798 236 HB2 ALA 31 HB2 ALA 31 4.014 -7.663 11.224 237 HB3 ALA 31 HB3 ALA 31 3.585 -9.332 10.811 238 H TYR 32 HN TYR 32 4.356 -7.457 7.680 239 HA TYR 32 HA TYR 32 5.001 -4.777 7.877 240 HB2 TYR 32 HB2 TYR 32 6.233 -6.325 6.499 241 HB3 TYR 32 HB3 TYR 32 4.866 -6.600 5.447 242 HD1 TYR 32 HD2 TYR 32 3.992 -4.532 4.030 243 HD2 TYR 32 HD1 TYR 32 7.822 -4.613 6.024 244 HE1 TYR 32 HE2 TYR 32 4.625 -2.456 2.866 245 HE2 TYR 32 HE1 TYR 32 8.521 -2.664 4.731 246 HH TYR 32 HH TYR 32 7.508 -0.769 3.980 247 H ALA 33 HN ALA 33 2.349 -6.194 5.895 248 HA ALA 33 HA ALA 33 1.501 -3.867 4.715 249 HB1 ALA 33 HB1 ALA 33 -0.716 -5.005 4.435 250 HB2 ALA 33 HB2 ALA 33 0.623 -6.073 4.033 251 HB3 ALA 33 HB3 ALA 33 -0.213 -6.252 5.590 252 H ALA 34 HN ALA 34 1.038 -4.652 8.152 253 HA ALA 34 HA ALA 34 -1.299 -2.891 8.354 254 HB1 ALA 34 HB1 ALA 34 0.495 -4.035 10.511 255 HB2 ALA 34 HB2 ALA 34 -1.039 -3.151 10.747 256 HB3 ALA 34 HB3 ALA 34 -1.044 -4.708 9.889 257 H GLU 35 HN GLU 35 2.273 -2.459 8.597 258 HA GLU 35 HA GLU 35 2.101 0.141 9.849 259 HB2 GLU 35 HB2 GLU 35 4.209 -1.327 8.284 260 HB3 GLU 35 HB3 GLU 35 4.416 0.375 8.761 261 HG2 GLU 35 HG2 GLU 35 3.924 -0.426 11.110 262 HG3 GLU 35 HG3 GLU 35 4.148 -2.081 10.502 263 H VAL 36 HN VAL 36 2.515 -0.905 6.434 264 HA VAL 36 HA VAL 36 2.478 1.723 5.300 265 HB VAL 36 HB VAL 36 3.110 -0.706 4.365 266 HG11 VAL 36 HG11 VAL 36 0.268 -0.699 3.652 267 HG12 VAL 36 HG12 VAL 36 1.609 -1.585 2.886 268 HG13 VAL 36 HG13 VAL 36 1.287 -1.807 4.612 269 HG21 VAL 36 HG21 VAL 36 3.383 1.480 3.162 270 HG22 VAL 36 HG22 VAL 36 2.951 0.151 2.086 271 HG23 VAL 36 HG23 VAL 36 1.699 1.320 2.591 272 H VAL 37 HN VAL 37 -0.126 -0.141 6.645 273 HA VAL 37 HA VAL 37 -2.191 1.581 5.427 274 HB VAL 37 HB VAL 37 -2.132 -0.729 7.417 275 HG11 VAL 37 HG11 VAL 37 -3.961 0.646 8.076 276 HG12 VAL 37 HG12 VAL 37 -4.545 0.761 6.410 277 HG13 VAL 37 HG13 VAL 37 -4.611 -0.802 7.258 278 HG21 VAL 37 HG21 VAL 37 -1.703 -1.147 4.910 279 HG22 VAL 37 HG22 VAL 37 -2.919 -2.126 5.748 280 HG23 VAL 37 HG23 VAL 37 -3.415 -0.757 4.695 281 H LYS 38 HN LYS 38 -0.394 1.229 8.459 282 HA LYS 38 HA LYS 38 -1.969 3.174 9.899 283 HB2 LYS 38 HB2 LYS 38 0.351 1.368 10.309 284 HB3 LYS 38 HB3 LYS 38 0.473 2.888 11.157 285 HG2 LYS 38 HG2 LYS 38 -2.048 2.291 11.906 286 HG3 LYS 38 HG3 LYS 38 -1.566 0.651 11.427 287 HD2 LYS 38 HD2 LYS 38 -1.093 0.859 13.788 288 HD3 LYS 38 HD3 LYS 38 0.475 0.931 12.957 289 HE2 LYS 38 HE2 LYS 38 0.130 3.511 12.947 290 HE3 LYS 38 HE3 LYS 38 -1.217 3.237 14.038 291 HZ1 LYS 38 HZ1 LYS 38 1.616 2.505 14.541 292 HZ2 LYS 38 HZ2 LYS 38 0.378 2.324 15.622 293 HZ3 LYS 38 HZ3 LYS 38 0.824 3.822 15.120 294 H ALA 39 HN ALA 39 0.469 3.395 7.466 295 HA ALA 39 HA ALA 39 0.999 6.222 8.171 296 HB1 ALA 39 HB1 ALA 39 2.846 5.971 6.485 297 HB2 ALA 39 HB2 ALA 39 3.050 4.919 7.906 298 HB3 ALA 39 HB3 ALA 39 2.460 4.250 6.361 299 H ASP 40 HN ASP 40 -1.264 6.565 7.504 300 HA ASP 40 HA ASP 40 -1.544 7.175 4.634 301 HB2 ASP 40 HB2 ASP 40 -2.294 4.792 5.024 302 HB3 ASP 40 HB3 ASP 40 -3.502 5.407 6.119 303 H PHE 41 HN PHE 41 -1.202 8.870 6.936 304 HA PHE 41 HA PHE 41 -3.796 10.278 7.071 305 HB2 PHE 41 HB2 PHE 41 -2.229 9.589 9.579 306 HB3 PHE 41 HB3 PHE 41 -3.821 10.312 9.478 307 HD1 PHE 41 HD1 PHE 41 -5.795 8.861 8.731 308 HD2 PHE 41 HD2 PHE 41 -1.912 7.225 9.636 309 HE1 PHE 41 HE1 PHE 41 -6.819 6.619 9.065 310 HE2 PHE 41 HE2 PHE 41 -2.934 4.979 9.891 311 HZ PHE 41 HZ PHE 41 -5.376 4.678 9.684 312 H GLU 42 HN GLU 42 -3.511 12.362 8.197 313 HA GLU 42 HA GLU 42 -2.676 14.300 8.814 314 HB2 GLU 42 HB2 GLU 42 -0.143 12.753 9.477 315 HB3 GLU 42 HB3 GLU 42 -0.541 14.385 10.010 316 HG2 GLU 42 HG2 GLU 42 -2.746 13.341 10.913 317 HG3 GLU 42 HG3 GLU 42 -1.964 11.788 10.728 318 H GLU 43 HN GLU 43 -0.312 12.759 6.639 319 HA GLU 43 HA GLU 43 0.331 15.255 5.235 320 HB2 GLU 43 HB2 GLU 43 1.013 12.341 5.049 321 HB3 GLU 43 HB3 GLU 43 0.700 13.117 3.521 322 HG2 GLU 43 HG2 GLU 43 3.001 13.378 3.803 323 HG3 GLU 43 HG3 GLU 43 2.358 14.953 4.217 324 H ALA 44 HN ALA 44 -0.567 15.474 2.846 325 HA ALA 44 HA ALA 44 -3.502 15.134 3.188 326 HB1 ALA 44 HB1 ALA 44 -3.627 17.016 1.604 327 HB2 ALA 44 HB2 ALA 44 -2.729 17.416 3.078 328 HB3 ALA 44 HB3 ALA 44 -1.857 17.100 1.567 329 H GLY 45 HN GLY 45 -3.638 12.989 2.387 330 HA2 GLY 45 HA2 GLY 45 -4.722 12.097 0.409 331 HA3 GLY 45 HA1 GLY 45 -3.476 12.842 -0.607 332 H HIS 46 HN HIS 46 -1.210 12.094 -0.284 333 HA HIS 46 HA HIS 46 -1.037 9.366 0.831 334 HB2 HIS 46 HB2 HIS 46 0.138 9.908 -1.897 335 HB3 HIS 46 HB3 HIS 46 0.041 8.396 -1.048 336 HD1 HIS 46 HD1 HIS 46 -1.758 10.311 -3.614 337 HD2 HIS 46 HD2 HIS 46 -2.719 7.603 -0.529 338 HE1 HIS 46 HE1 HIS 46 -4.032 9.346 -4.190 339 H GLU 47 HN GLU 47 1.261 11.371 -1.010 340 HA GLU 47 HA GLU 47 3.361 12.066 -0.578 341 HB2 GLU 47 HB2 GLU 47 1.968 13.094 1.875 342 HB3 GLU 47 HB3 GLU 47 3.536 13.663 1.301 343 HG2 GLU 47 HG2 GLU 47 2.413 14.499 -0.764 344 HG3 GLU 47 HG3 GLU 47 0.849 13.961 -0.116 345 H ASP 48 HN ASP 48 2.561 11.351 2.835 346 HA ASP 48 HA ASP 48 5.134 10.257 3.538 347 HB2 ASP 48 HB2 ASP 48 3.648 11.333 5.182 348 HB3 ASP 48 HB3 ASP 48 2.407 10.132 4.889 349 H VAL 49 HN VAL 49 2.024 8.943 2.481 350 HA VAL 49 HA VAL 49 2.478 6.180 2.852 351 HB VAL 49 HB VAL 49 0.974 7.772 0.752 352 HG11 VAL 49 HG11 VAL 49 1.237 5.575 -0.238 353 HG12 VAL 49 HG12 VAL 49 0.748 4.803 1.298 354 HG13 VAL 49 HG13 VAL 49 -0.417 5.745 0.350 355 HG21 VAL 49 HG21 VAL 49 0.212 7.882 3.240 356 HG22 VAL 49 HG22 VAL 49 -1.007 7.499 2.010 357 HG23 VAL 49 HG23 VAL 49 -0.328 6.212 2.996 358 H MET 50 HN MET 50 3.842 8.416 0.504 359 HA MET 50 HA MET 50 4.851 6.269 -1.249 360 HB2 MET 50 HB2 MET 50 5.757 9.155 -1.352 361 HB3 MET 50 HB3 MET 50 5.701 7.933 -2.614 362 HG2 MET 50 HG2 MET 50 3.436 9.580 -1.443 363 HG3 MET 50 HG3 MET 50 4.014 9.531 -3.096 364 HE1 MET 50 HE1 MET 50 2.681 6.001 -4.258 365 HE2 MET 50 HE2 MET 50 3.725 7.393 -4.675 366 HE3 MET 50 HE3 MET 50 4.184 6.281 -3.367 367 H ARG 51 HN ARG 51 6.126 8.789 0.965 368 HA ARG 51 HA ARG 51 8.819 8.082 1.059 369 HB2 ARG 51 HB2 ARG 51 7.317 10.034 2.123 370 HB3 ARG 51 HB3 ARG 51 7.235 8.934 3.488 371 HG2 ARG 51 HG2 ARG 51 9.961 8.998 2.939 372 HG3 ARG 51 HG3 ARG 51 9.464 10.606 2.437 373 HD2 ARG 51 HD2 ARG 51 9.534 9.364 5.156 374 HD3 ARG 51 HD3 ARG 51 10.035 10.982 4.668 375 HE ARG 51 HE ARG 51 7.530 10.110 5.754 376 HH11 ARG 51 HH11 ARG 51 8.802 12.696 3.656 377 HH12 ARG 51 HH12 ARG 51 7.404 13.711 3.938 378 HH21 ARG 51 HH21 ARG 51 5.826 11.425 6.104 379 HH22 ARG 51 HH22 ARG 51 5.720 13.030 5.482 380 H LYS 52 HN LYS 52 6.087 6.632 2.753 381 HA LYS 52 HA LYS 52 7.351 4.925 4.593 382 HB2 LYS 52 HB2 LYS 52 4.988 5.273 4.690 383 HB3 LYS 52 HB3 LYS 52 4.760 4.766 3.023 384 HG2 LYS 52 HG2 LYS 52 3.938 3.115 4.593 385 HG3 LYS 52 HG3 LYS 52 5.240 2.455 3.576 386 HD2 LYS 52 HD2 LYS 52 6.811 2.718 5.388 387 HD3 LYS 52 HD3 LYS 52 5.531 3.405 6.425 388 HE2 LYS 52 HE2 LYS 52 4.405 1.287 6.570 389 HE3 LYS 52 HE3 LYS 52 5.327 0.604 5.244 390 HZ1 LYS 52 HZ1 LYS 52 6.437 1.382 7.876 391 HZ2 LYS 52 HZ2 LYS 52 7.321 0.783 6.594 392 HZ3 LYS 52 HZ3 LYS 52 6.181 -0.146 7.316 393 H VAL 53 HN VAL 53 6.151 3.926 1.318 394 HA VAL 53 HA VAL 53 7.525 1.431 1.616 395 HB VAL 53 HB VAL 53 6.775 1.034 -0.719 396 HG11 VAL 53 HG11 VAL 53 4.606 2.295 1.043 397 HG12 VAL 53 HG12 VAL 53 4.359 1.121 -0.249 398 HG13 VAL 53 HG13 VAL 53 5.253 0.645 1.207 399 HG21 VAL 53 HG21 VAL 53 5.418 2.672 -1.914 400 HG22 VAL 53 HG22 VAL 53 5.613 3.868 -0.631 401 HG23 VAL 53 HG23 VAL 53 6.995 3.368 -1.618 402 H LEU 54 HN LEU 54 8.354 4.514 0.085 403 HA LEU 54 HA LEU 54 10.547 3.506 -1.408 404 HB2 LEU 54 HB2 LEU 54 9.926 6.284 -0.337 405 HB3 LEU 54 HB3 LEU 54 11.249 5.954 -1.450 406 HG LEU 54 HG LEU 54 8.331 5.293 -2.080 407 HD11 LEU 54 HD11 LEU 54 9.980 7.664 -2.997 408 HD12 LEU 54 HD12 LEU 54 8.691 7.740 -1.774 409 HD13 LEU 54 HD13 LEU 54 8.294 7.305 -3.438 410 HD21 LEU 54 HD21 LEU 54 10.739 5.469 -3.916 411 HD22 LEU 54 HD22 LEU 54 9.044 5.118 -4.359 412 HD23 LEU 54 HD23 LEU 54 9.952 3.963 -3.396 413 H GLY 55 HN GLY 55 10.428 5.048 1.861 414 HA2 GLY 55 HA2 GLY 55 13.218 4.820 2.380 415 HA3 GLY 55 HA1 GLY 55 11.917 4.983 3.582 416 H ASP 56 HN ASP 56 10.399 2.685 3.175 417 HA ASP 56 HA ASP 56 11.726 0.722 4.655 418 HB2 ASP 56 HB2 ASP 56 9.241 0.716 2.945 419 HB3 ASP 56 HB3 ASP 56 9.865 -0.780 3.601 420 H LEU 57 HN LEU 57 11.200 0.916 1.122 421 HA LEU 57 HA LEU 57 12.210 -1.607 0.406 422 HB2 LEU 57 HB2 LEU 57 11.835 1.038 -0.994 423 HB3 LEU 57 HB3 LEU 57 12.761 -0.192 -1.841 424 HG LEU 57 HG LEU 57 9.956 -0.682 -0.782 425 HD11 LEU 57 HD11 LEU 57 10.015 1.128 -2.495 426 HD12 LEU 57 HD12 LEU 57 9.250 -0.333 -3.118 427 HD13 LEU 57 HD13 LEU 57 10.921 0.063 -3.594 428 HD21 LEU 57 HD21 LEU 57 10.013 -2.644 -2.128 429 HD22 LEU 57 HD22 LEU 57 11.503 -2.694 -1.223 430 HD23 LEU 57 HD23 LEU 57 11.542 -2.174 -2.919 431 H ASP 58 HN ASP 58 14.026 1.237 1.253 432 HA ASP 58 HA ASP 58 16.251 1.570 1.532 433 HB2 ASP 58 HB2 ASP 58 15.824 -0.775 2.580 434 HB3 ASP 58 HB3 ASP 58 16.662 -1.403 1.171 435 H GLY 59 HN GLY 59 15.116 1.488 -1.303 436 HA2 GLY 59 HA2 GLY 59 16.061 2.112 -3.305 437 HA3 GLY 59 HA1 GLY 59 17.646 1.576 -2.778 438 H LYS 60 HN LYS 60 15.090 -0.840 -2.290 439 HA LYS 60 HA LYS 60 16.264 -2.614 -4.123 440 HB2 LYS 60 HB2 LYS 60 13.907 -2.552 -2.417 441 HB3 LYS 60 HB3 LYS 60 13.760 -3.574 -3.821 442 HG2 LYS 60 HG2 LYS 60 16.052 -4.574 -3.131 443 HG3 LYS 60 HG3 LYS 60 15.797 -3.759 -1.565 444 HD2 LYS 60 HD2 LYS 60 13.722 -5.023 -1.229 445 HD3 LYS 60 HD3 LYS 60 13.793 -5.638 -2.879 446 HE2 LYS 60 HE2 LYS 60 14.575 -7.491 -1.858 447 HE3 LYS 60 HE3 LYS 60 16.092 -6.667 -2.203 448 HZ1 LYS 60 HZ1 LYS 60 14.704 -6.911 0.385 449 HZ2 LYS 60 HZ2 LYS 60 15.960 -5.827 0.162 450 HZ3 LYS 60 HZ3 LYS 60 16.147 -7.466 -0.010 451 H ARG 61 HN ARG 61 13.715 -0.191 -4.738 452 HA ARG 61 HA ARG 61 13.687 -1.010 -7.549 453 HB2 ARG 61 HB2 ARG 61 11.287 -1.027 -5.693 454 HB3 ARG 61 HB3 ARG 61 11.052 -0.496 -7.344 455 HG2 ARG 61 HG2 ARG 61 12.213 -3.231 -6.649 456 HG3 ARG 61 HG3 ARG 61 10.501 -2.881 -6.890 457 HD2 ARG 61 HD2 ARG 61 11.323 -1.822 -9.179 458 HD3 ARG 61 HD3 ARG 61 12.712 -2.892 -8.959 459 HE ARG 61 HE ARG 61 9.941 -3.478 -9.629 460 HH11 ARG 61 HH11 ARG 61 13.059 -5.006 -8.751 461 HH12 ARG 61 HH12 ARG 61 12.445 -6.606 -8.975 462 HH21 ARG 61 HH21 ARG 61 9.137 -5.602 -9.748 463 HH22 ARG 61 HH22 ARG 61 10.119 -6.956 -9.340 464 HA PRO 62 HA PRO 62 13.795 3.404 -8.029 465 HB2 PRO 62 HB2 PRO 62 12.360 3.740 -10.384 466 HB3 PRO 62 HB3 PRO 62 14.040 3.163 -10.324 467 HG2 PRO 62 HG2 PRO 62 11.516 1.511 -10.438 468 HG3 PRO 62 HG3 PRO 62 12.978 1.334 -11.452 469 HD2 PRO 62 HD2 PRO 62 12.644 -0.248 -9.355 470 HD3 PRO 62 HD3 PRO 62 14.244 0.490 -9.606 471 H GLU 63 HN GLU 63 12.518 5.130 -7.379 472 HA GLU 63 HA GLU 63 10.036 4.840 -6.234 473 HB2 GLU 63 HB2 GLU 63 11.350 6.821 -5.823 474 HB3 GLU 63 HB3 GLU 63 11.226 7.327 -7.521 475 HG2 GLU 63 HG2 GLU 63 8.884 7.767 -7.354 476 HG3 GLU 63 HG3 GLU 63 8.746 6.929 -5.822 477 H ALA 64 HN ALA 64 10.703 5.585 -9.621 478 HA ALA 64 HA ALA 64 8.155 6.251 -10.519 479 HB1 ALA 64 HB1 ALA 64 10.277 6.340 -11.854 480 HB2 ALA 64 HB2 ALA 64 10.215 4.580 -12.029 481 HB3 ALA 64 HB3 ALA 64 8.930 5.584 -12.731 482 H GLU 65 HN GLU 65 9.554 2.930 -10.238 483 HA GLU 65 HA GLU 65 7.163 1.715 -11.371 484 HB2 GLU 65 HB2 GLU 65 9.642 0.861 -11.357 485 HB3 GLU 65 HB3 GLU 65 9.261 0.270 -9.728 486 HG2 GLU 65 HG2 GLU 65 7.158 -0.791 -10.930 487 HG3 GLU 65 HG3 GLU 65 8.084 -0.497 -12.410 488 H VAL 66 HN VAL 66 8.289 2.584 -8.154 489 HA VAL 66 HA VAL 66 6.511 0.868 -6.665 490 HB VAL 66 HB VAL 66 8.245 3.263 -5.941 491 HG11 VAL 66 HG11 VAL 66 6.745 1.385 -4.068 492 HG12 VAL 66 HG12 VAL 66 8.037 2.499 -3.585 493 HG13 VAL 66 HG13 VAL 66 6.535 3.149 -4.228 494 HG21 VAL 66 HG21 VAL 66 9.787 1.631 -5.087 495 HG22 VAL 66 HG22 VAL 66 8.626 0.299 -5.342 496 HG23 VAL 66 HG23 VAL 66 9.380 1.116 -6.713 497 H ARG 67 HN ARG 67 6.450 4.415 -7.474 498 HA ARG 67 HA ARG 67 3.819 4.743 -6.387 499 HB2 ARG 67 HB2 ARG 67 3.622 6.812 -7.637 500 HB3 ARG 67 HB3 ARG 67 5.128 6.714 -6.734 501 HG2 ARG 67 HG2 ARG 67 6.396 6.317 -8.782 502 HG3 ARG 67 HG3 ARG 67 4.907 6.173 -9.712 503 HD2 ARG 67 HD2 ARG 67 5.946 8.321 -10.089 504 HD3 ARG 67 HD3 ARG 67 4.377 8.496 -9.315 505 HE ARG 67 HE ARG 67 6.775 8.560 -7.569 506 HH11 ARG 67 HH11 ARG 67 4.036 10.435 -8.863 507 HH12 ARG 67 HH12 ARG 67 4.768 11.971 -8.514 508 HH21 ARG 67 HH21 ARG 67 7.507 10.581 -6.741 509 HH22 ARG 67 HH22 ARG 67 6.589 12.021 -7.036 510 H ALA 68 HN ALA 68 4.889 3.680 -9.655 511 HA ALA 68 HA ALA 68 2.287 3.690 -10.785 512 HB1 ALA 68 HB1 ALA 68 4.595 1.802 -11.394 513 HB2 ALA 68 HB2 ALA 68 3.135 2.040 -12.380 514 HB3 ALA 68 HB3 ALA 68 4.283 3.383 -12.159 515 H LYS 69 HN LYS 69 3.987 1.017 -8.987 516 HA LYS 69 HA LYS 69 1.923 -0.910 -9.158 517 HB2 LYS 69 HB2 LYS 69 4.228 -1.163 -8.069 518 HB3 LYS 69 HB3 LYS 69 3.501 -0.467 -6.625 519 HG2 LYS 69 HG2 LYS 69 3.166 -2.688 -6.203 520 HG3 LYS 69 HG3 LYS 69 1.642 -2.401 -7.017 521 HD2 LYS 69 HD2 LYS 69 2.761 -3.301 -9.154 522 HD3 LYS 69 HD3 LYS 69 4.204 -3.584 -8.160 523 HE2 LYS 69 HE2 LYS 69 3.375 -5.648 -7.918 524 HE3 LYS 69 HE3 LYS 69 2.527 -4.855 -6.583 525 HZ1 LYS 69 HZ1 LYS 69 1.439 -5.501 -9.259 526 HZ2 LYS 69 HZ2 LYS 69 0.643 -4.564 -8.195 527 HZ3 LYS 69 HZ3 LYS 69 0.999 -6.145 -7.831 528 H TYR 70 HN TYR 70 2.339 1.810 -6.823 529 HA TYR 70 HA TYR 70 0.073 1.111 -5.238 530 HB2 TYR 70 HB2 TYR 70 1.972 2.431 -4.430 531 HB3 TYR 70 HB3 TYR 70 1.541 3.759 -5.502 532 HD1 TYR 70 HD2 TYR 70 -0.232 1.497 -3.022 533 HD2 TYR 70 HD1 TYR 70 0.481 5.545 -4.386 534 HE1 TYR 70 HE2 TYR 70 -1.837 2.352 -1.367 535 HE2 TYR 70 HE1 TYR 70 -0.999 6.414 -2.624 536 HH TYR 70 HH TYR 70 -2.401 4.409 -0.136 537 H GLU 71 HN GLU 71 0.423 3.777 -7.653 538 HA GLU 71 HA GLU 71 -2.216 4.738 -7.478 539 HB2 GLU 71 HB2 GLU 71 -0.263 4.640 -9.814 540 HB3 GLU 71 HB3 GLU 71 -1.772 5.552 -9.856 541 HG2 GLU 71 HG2 GLU 71 0.402 6.047 -7.783 542 HG3 GLU 71 HG3 GLU 71 0.325 6.869 -9.339 543 H GLY 72 HN GLY 72 -0.868 2.092 -9.469 544 HA2 GLY 72 HA2 GLY 72 -3.227 1.645 -11.030 545 HA3 GLY 72 HA1 GLY 72 -1.865 0.547 -10.827 546 H LEU 73 HN LEU 73 -2.507 0.838 -7.711 547 HA LEU 73 HA LEU 73 -4.144 -1.534 -7.603 548 HB2 LEU 73 HB2 LEU 73 -2.116 -0.438 -6.009 549 HB3 LEU 73 HB3 LEU 73 -3.519 -0.083 -5.074 550 HG LEU 73 HG LEU 73 -4.115 -2.464 -4.916 551 HD11 LEU 73 HD11 LEU 73 -1.643 -2.947 -6.671 552 HD12 LEU 73 HD12 LEU 73 -3.303 -3.363 -7.110 553 HD13 LEU 73 HD13 LEU 73 -2.520 -4.210 -5.787 554 HD21 LEU 73 HD21 LEU 73 -1.572 -1.215 -4.075 555 HD22 LEU 73 HD22 LEU 73 -1.377 -2.944 -4.188 556 HD23 LEU 73 HD23 LEU 73 -2.669 -2.178 -3.183 557 H MET 74 HN MET 74 -4.925 1.845 -7.532 558 HA MET 74 HA MET 74 -6.946 1.891 -5.572 559 HB2 MET 74 HB2 MET 74 -6.201 3.899 -6.759 560 HB3 MET 74 HB3 MET 74 -6.906 3.308 -8.274 561 HG2 MET 74 HG2 MET 74 -9.148 3.337 -7.284 562 HG3 MET 74 HG3 MET 74 -8.492 3.816 -5.724 563 HE1 MET 74 HE1 MET 74 -7.417 7.472 -6.234 564 HE2 MET 74 HE2 MET 74 -8.347 6.522 -5.063 565 HE3 MET 74 HE3 MET 74 -6.794 5.898 -5.666 566 H ALA 75 HN ALA 75 -7.170 0.834 -9.000 567 HA ALA 75 HA ALA 75 -9.896 0.101 -8.902 568 HB1 ALA 75 HB1 ALA 75 -7.675 -1.155 -10.543 569 HB2 ALA 75 HB2 ALA 75 -9.405 -1.270 -10.882 570 HB3 ALA 75 HB3 ALA 75 -8.589 0.303 -11.014 571 H VAL 76 HN VAL 76 -6.943 -1.869 -8.195 572 HA VAL 76 HA VAL 76 -8.380 -4.325 -7.947 573 HB VAL 76 HB VAL 76 -5.697 -3.670 -6.668 574 HG11 VAL 76 HG11 VAL 76 -5.219 -6.049 -7.065 575 HG12 VAL 76 HG12 VAL 76 -6.705 -5.894 -6.122 576 HG13 VAL 76 HG13 VAL 76 -6.799 -6.263 -7.852 577 HG21 VAL 76 HG21 VAL 76 -5.499 -2.919 -9.002 578 HG22 VAL 76 HG22 VAL 76 -4.618 -4.432 -8.776 579 HG23 VAL 76 HG23 VAL 76 -6.197 -4.452 -9.569 580 H ALA 77 HN ALA 77 -7.282 -1.911 -5.560 581 HA ALA 77 HA ALA 77 -7.921 -3.224 -3.179 582 HB1 ALA 77 HB1 ALA 77 -6.685 -1.085 -3.396 583 HB2 ALA 77 HB2 ALA 77 -8.180 -0.248 -3.842 584 HB3 ALA 77 HB3 ALA 77 -8.028 -0.954 -2.229 585 H LYS 78 HN LYS 78 -9.852 -1.236 -5.353 586 HA LYS 78 HA LYS 78 -12.311 -1.555 -3.782 587 HB2 LYS 78 HB2 LYS 78 -11.575 -0.171 -6.398 588 HB3 LYS 78 HB3 LYS 78 -13.215 -0.122 -5.687 589 HG2 LYS 78 HG2 LYS 78 -12.471 1.172 -3.795 590 HG3 LYS 78 HG3 LYS 78 -10.767 1.010 -4.264 591 HD2 LYS 78 HD2 LYS 78 -11.628 3.196 -4.976 592 HD3 LYS 78 HD3 LYS 78 -11.182 2.205 -6.350 593 HE2 LYS 78 HE2 LYS 78 -13.690 1.516 -6.485 594 HE3 LYS 78 HE3 LYS 78 -14.007 2.829 -5.352 595 HZ1 LYS 78 HZ1 LYS 78 -13.376 4.395 -6.988 596 HZ2 LYS 78 HZ2 LYS 78 -14.026 3.192 -7.931 597 HZ3 LYS 78 HZ3 LYS 78 -12.435 3.315 -7.797 598 H ALA 79 HN ALA 79 -10.773 -3.506 -6.006 599 HA ALA 79 HA ALA 79 -13.291 -4.669 -7.060 600 HB1 ALA 79 HB1 ALA 79 -10.585 -6.048 -6.736 601 HB2 ALA 79 HB2 ALA 79 -11.976 -6.531 -7.713 602 HB3 ALA 79 HB3 ALA 79 -11.039 -5.081 -8.153 603 H GLN 80 HN GLN 80 -10.793 -5.401 -4.589 604 HA GLN 80 HA GLN 80 -12.185 -7.657 -3.650 605 HB2 GLN 80 HB2 GLN 80 -9.978 -5.984 -2.377 606 HB3 GLN 80 HB3 GLN 80 -10.612 -7.463 -1.660 607 HG2 GLN 80 HG2 GLN 80 -10.034 -8.732 -3.720 608 HG3 GLN 80 HG3 GLN 80 -9.351 -7.266 -4.425 609 HE21 GLN 80 HE21 GLN 80 -7.667 -9.393 -4.298 610 HE22 GLN 80 HE22 GLN 80 -6.416 -9.038 -3.117 611 H LEU 81 HN LEU 81 -12.537 -4.282 -2.401 612 HA LEU 81 HA LEU 81 -13.336 -5.158 0.201 613 HB2 LEU 81 HB2 LEU 81 -12.748 -2.985 0.573 614 HB3 LEU 81 HB3 LEU 81 -12.405 -2.849 -1.069 615 HG LEU 81 HG LEU 81 -14.976 -2.198 -1.317 616 HD11 LEU 81 HD11 LEU 81 -15.744 -0.952 0.649 617 HD12 LEU 81 HD12 LEU 81 -14.282 -1.481 1.526 618 HD13 LEU 81 HD13 LEU 81 -15.465 -2.667 1.012 619 HD21 LEU 81 HD21 LEU 81 -12.907 -0.310 -0.164 620 HD22 LEU 81 HD22 LEU 81 -14.361 0.167 -1.079 621 HD23 LEU 81 HD23 LEU 81 -13.051 -0.709 -1.884 622 H MET 82 HN MET 82 -14.858 -4.452 -2.763 623 HA MET 82 HA MET 82 -17.662 -4.330 -1.834 624 HB2 MET 82 HB2 MET 82 -16.365 -4.391 -4.599 625 HB3 MET 82 HB3 MET 82 -18.104 -4.519 -4.377 626 HG2 MET 82 HG2 MET 82 -16.948 -2.237 -2.914 627 HG3 MET 82 HG3 MET 82 -16.675 -2.123 -4.655 628 HE1 MET 82 HE1 MET 82 -18.283 0.011 -2.888 629 HE2 MET 82 HE2 MET 82 -17.900 0.143 -4.629 630 HE3 MET 82 HE3 MET 82 -19.570 0.378 -4.056 631 H ASP 83 HN ASP 83 -15.495 -6.592 -3.626 632 HA ASP 83 HA ASP 83 -17.357 -8.665 -3.957 633 HB2 ASP 83 HB2 ASP 83 -15.058 -8.323 -5.044 634 HB3 ASP 83 HB3 ASP 83 -14.355 -9.015 -3.575 635 H GLU 84 HN GLU 84 -15.078 -7.952 -1.281 636 HA GLU 84 HA GLU 84 -15.598 -10.378 0.170 637 HB2 GLU 84 HB2 GLU 84 -14.313 -7.708 0.821 638 HB3 GLU 84 HB3 GLU 84 -14.450 -8.945 2.047 639 HG2 GLU 84 HG2 GLU 84 -13.292 -9.894 -0.555 640 HG3 GLU 84 HG3 GLU 84 -12.348 -8.700 0.317 641 H LEU 85 HN LEU 85 -17.383 -7.468 0.027 642 HA LEU 85 HA LEU 85 -19.012 -6.449 1.208 643 HB2 LEU 85 HB2 LEU 85 -20.182 -8.509 0.625 644 HB3 LEU 85 HB3 LEU 85 -19.716 -9.242 2.136 645 HG LEU 85 HG LEU 85 -21.421 -6.717 1.898 646 HD11 LEU 85 HD11 LEU 85 -22.474 -8.721 0.850 647 HD12 LEU 85 HD12 LEU 85 -23.357 -8.162 2.268 648 HD13 LEU 85 HD13 LEU 85 -22.292 -9.600 2.366 649 HD21 LEU 85 HD21 LEU 85 -20.859 -8.554 4.272 650 HD22 LEU 85 HD22 LEU 85 -22.199 -7.402 4.227 651 HD23 LEU 85 HD23 LEU 85 -20.548 -6.815 4.159 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -21.049 7.218 4.299 2 HA2 GLY 1 HA2 GLY 1 -19.861 7.842 2.305 3 HA3 GLY 1 HA1 GLY 1 -18.758 7.953 3.687 4 H MET 2 HN MET 2 -17.650 7.749 1.282 5 HA MET 2 HA MET 2 -16.656 4.952 0.971 6 HB2 MET 2 HB2 MET 2 -16.416 5.448 -1.427 7 HB3 MET 2 HB3 MET 2 -18.098 5.591 -0.925 8 HG2 MET 2 HG2 MET 2 -18.009 7.988 -0.945 9 HG3 MET 2 HG3 MET 2 -16.256 8.006 -1.101 10 HE1 MET 2 HE1 MET 2 -18.225 9.729 -2.690 11 HE2 MET 2 HE2 MET 2 -16.470 9.810 -2.938 12 HE3 MET 2 HE3 MET 2 -17.554 9.672 -4.341 13 H GLN 3 HN GLN 3 -14.509 5.844 -0.843 14 HA GLN 3 HA GLN 3 -12.453 6.642 -0.866 15 HB2 GLN 3 HB2 GLN 3 -14.130 8.832 -0.217 16 HB3 GLN 3 HB3 GLN 3 -12.775 8.976 0.883 17 HG2 GLN 3 HG2 GLN 3 -12.253 10.238 -1.052 18 HG3 GLN 3 HG3 GLN 3 -11.242 8.794 -1.180 19 HE21 GLN 3 HE21 GLN 3 -11.554 10.225 -3.436 20 HE22 GLN 3 HE22 GLN 3 -12.614 9.394 -4.537 21 H PHE 4 HN PHE 4 -13.336 4.988 1.616 22 HA PHE 4 HA PHE 4 -10.952 5.484 3.331 23 HB2 PHE 4 HB2 PHE 4 -13.551 6.226 3.912 24 HB3 PHE 4 HB3 PHE 4 -13.272 4.819 4.945 25 HD1 PHE 4 HD2 PHE 4 -11.637 7.947 3.755 26 HD2 PHE 4 HD1 PHE 4 -12.359 5.390 7.139 27 HE1 PHE 4 HE2 PHE 4 -10.469 9.541 5.162 28 HE2 PHE 4 HE1 PHE 4 -11.251 7.053 8.609 29 HZ PHE 4 HZ PHE 4 -10.287 9.139 7.649 30 H LYS 5 HN LYS 5 -13.888 3.450 3.142 31 HA LYS 5 HA LYS 5 -12.829 0.985 3.910 32 HB2 LYS 5 HB2 LYS 5 -15.072 1.869 2.091 33 HB3 LYS 5 HB3 LYS 5 -14.645 0.153 2.107 34 HG2 LYS 5 HG2 LYS 5 -15.064 -0.067 4.431 35 HG3 LYS 5 HG3 LYS 5 -15.144 1.676 4.690 36 HD2 LYS 5 HD2 LYS 5 -17.171 0.142 2.995 37 HD3 LYS 5 HD3 LYS 5 -17.352 0.470 4.721 38 HE2 LYS 5 HE2 LYS 5 -16.906 2.951 4.138 39 HE3 LYS 5 HE3 LYS 5 -17.232 2.498 2.465 40 HZ1 LYS 5 HZ1 LYS 5 -19.416 1.640 3.319 41 HZ2 LYS 5 HZ2 LYS 5 -19.234 3.250 3.389 42 HZ3 LYS 5 HZ3 LYS 5 -19.067 2.353 4.762 43 H ALA 6 HN ALA 6 -12.826 2.352 0.587 44 HA ALA 6 HA ALA 6 -11.251 0.171 -0.416 45 HB1 ALA 6 HB1 ALA 6 -11.125 1.543 -2.481 46 HB2 ALA 6 HB2 ALA 6 -12.789 1.476 -1.869 47 HB3 ALA 6 HB3 ALA 6 -11.805 2.921 -1.596 48 H GLU 7 HN GLU 7 -10.315 2.961 1.401 49 HA GLU 7 HA GLU 7 -7.950 3.518 -0.195 50 HB2 GLU 7 HB2 GLU 7 -7.975 5.505 0.874 51 HB3 GLU 7 HB3 GLU 7 -9.596 5.051 1.352 52 HG2 GLU 7 HG2 GLU 7 -8.710 4.193 3.519 53 HG3 GLU 7 HG3 GLU 7 -7.123 4.805 3.054 54 H ALA 8 HN ALA 8 -8.698 2.227 3.075 55 HA ALA 8 HA ALA 8 -6.052 1.493 3.782 56 HB1 ALA 8 HB1 ALA 8 -7.098 0.158 5.514 57 HB2 ALA 8 HB2 ALA 8 -8.028 1.659 5.336 58 HB3 ALA 8 HB3 ALA 8 -8.646 0.149 4.638 59 H ARG 9 HN ARG 9 -8.510 -0.172 1.863 60 HA ARG 9 HA ARG 9 -7.213 -2.740 1.645 61 HB2 ARG 9 HB2 ARG 9 -9.601 -2.186 0.971 62 HB3 ARG 9 HB3 ARG 9 -8.948 -1.331 -0.412 63 HG2 ARG 9 HG2 ARG 9 -9.711 -3.574 -1.032 64 HG3 ARG 9 HG3 ARG 9 -7.998 -3.396 -1.325 65 HD2 ARG 9 HD2 ARG 9 -8.688 -5.582 -0.409 66 HD3 ARG 9 HD3 ARG 9 -7.497 -4.794 0.619 67 HE ARG 9 HE ARG 9 -10.486 -4.630 1.040 68 HH11 ARG 9 HH11 ARG 9 -7.598 -6.107 2.336 69 HH12 ARG 9 HH12 ARG 9 -8.129 -5.961 4.009 70 HH21 ARG 9 HH21 ARG 9 -11.284 -4.683 3.028 71 HH22 ARG 9 HH22 ARG 9 -10.366 -5.170 4.419 72 H ARG 10 HN ARG 10 -7.164 0.078 -0.624 73 HA ARG 10 HA ARG 10 -5.140 -0.770 -2.405 74 HB2 ARG 10 HB2 ARG 10 -6.645 1.260 -2.519 75 HB3 ARG 10 HB3 ARG 10 -5.696 1.988 -1.251 76 HG2 ARG 10 HG2 ARG 10 -3.817 1.353 -3.289 77 HG3 ARG 10 HG3 ARG 10 -5.250 1.937 -4.136 78 HD2 ARG 10 HD2 ARG 10 -3.740 3.344 -1.911 79 HD3 ARG 10 HD3 ARG 10 -3.743 3.806 -3.607 80 HE ARG 10 HE ARG 10 -6.345 4.075 -3.122 81 HH11 ARG 10 HH11 ARG 10 -3.705 4.973 -0.811 82 HH12 ARG 10 HH12 ARG 10 -4.776 6.084 -0.016 83 HH21 ARG 10 HH21 ARG 10 -7.617 5.807 -1.879 84 HH22 ARG 10 HH22 ARG 10 -6.732 6.515 -0.581 85 H ASN 11 HN ASN 11 -4.644 1.053 0.719 86 HA ASN 11 HA ASN 11 -1.830 0.939 0.565 87 HB2 ASN 11 HB2 ASN 11 -3.590 1.086 3.026 88 HB3 ASN 11 HB3 ASN 11 -1.842 1.306 2.982 89 HD21 ASN 11 HD21 ASN 11 -2.873 3.524 4.059 90 HD22 ASN 11 HD22 ASN 11 -3.326 4.716 2.913 91 H LYS 12 HN LYS 12 -4.045 -1.404 2.232 92 HA LYS 12 HA LYS 12 -2.022 -3.084 3.252 93 HB2 LYS 12 HB2 LYS 12 -4.355 -3.216 3.961 94 HB3 LYS 12 HB3 LYS 12 -4.849 -3.818 2.372 95 HG2 LYS 12 HG2 LYS 12 -3.489 -5.842 2.682 96 HG3 LYS 12 HG3 LYS 12 -2.868 -5.218 4.223 97 HD2 LYS 12 HD2 LYS 12 -5.056 -5.350 5.248 98 HD3 LYS 12 HD3 LYS 12 -5.786 -5.806 3.692 99 HE2 LYS 12 HE2 LYS 12 -4.452 -7.869 3.619 100 HE3 LYS 12 HE3 LYS 12 -3.636 -7.418 5.122 101 HZ1 LYS 12 HZ1 LYS 12 -6.527 -8.073 4.896 102 HZ2 LYS 12 HZ2 LYS 12 -5.726 -7.588 6.271 103 HZ3 LYS 12 HZ3 LYS 12 -5.327 -8.986 5.567 104 H LEU 13 HN LEU 13 -3.879 -3.687 0.066 105 HA LEU 13 HA LEU 13 -2.446 -5.633 -0.896 106 HB2 LEU 13 HB2 LEU 13 -3.584 -3.204 -2.295 107 HB3 LEU 13 HB3 LEU 13 -2.768 -4.529 -3.158 108 HG LEU 13 HG LEU 13 -4.381 -6.071 -1.771 109 HD11 LEU 13 HD11 LEU 13 -6.525 -5.295 -1.442 110 HD12 LEU 13 HD12 LEU 13 -5.908 -3.615 -1.623 111 HD13 LEU 13 HD13 LEU 13 -5.284 -4.710 -0.322 112 HD21 LEU 13 HD21 LEU 13 -5.400 -4.197 -4.009 113 HD22 LEU 13 HD22 LEU 13 -6.106 -5.792 -3.636 114 HD23 LEU 13 HD23 LEU 13 -4.472 -5.698 -4.317 115 H MET 14 HN MET 14 -1.414 -2.089 -1.255 116 HA MET 14 HA MET 14 0.919 -2.577 -2.631 117 HB2 MET 14 HB2 MET 14 -0.223 -0.385 -2.164 118 HB3 MET 14 HB3 MET 14 0.442 -0.425 -0.528 119 HG2 MET 14 HG2 MET 14 1.832 0.953 -1.895 120 HG3 MET 14 HG3 MET 14 2.739 -0.490 -1.471 121 HE1 MET 14 HE1 MET 14 4.130 0.619 -4.933 122 HE2 MET 14 HE2 MET 14 3.491 1.670 -3.651 123 HE3 MET 14 HE3 MET 14 4.490 0.264 -3.227 124 H GLY 15 HN GLY 15 0.405 -2.668 0.940 125 HA2 GLY 15 HA2 GLY 15 3.141 -3.029 1.627 126 HA3 GLY 15 HA1 GLY 15 1.773 -3.519 2.608 127 H LEU 16 HN LEU 16 0.645 -5.510 0.630 128 HA LEU 16 HA LEU 16 2.351 -7.755 1.203 129 HB2 LEU 16 HB2 LEU 16 -0.007 -7.355 -0.697 130 HB3 LEU 16 HB3 LEU 16 0.946 -8.795 -0.707 131 HG LEU 16 HG LEU 16 -0.858 -9.407 0.485 132 HD11 LEU 16 HD11 LEU 16 -0.149 -9.970 2.718 133 HD12 LEU 16 HD12 LEU 16 1.041 -8.660 2.744 134 HD13 LEU 16 HD13 LEU 16 1.255 -10.047 1.646 135 HD21 LEU 16 HD21 LEU 16 -1.895 -7.247 0.847 136 HD22 LEU 16 HD22 LEU 16 -0.720 -6.870 2.116 137 HD23 LEU 16 HD23 LEU 16 -1.892 -8.181 2.353 138 H TRP 17 HN TRP 17 2.034 -5.573 -1.579 139 HA TRP 17 HA TRP 17 3.770 -7.129 -3.327 140 HB2 TRP 17 HB2 TRP 17 2.282 -5.452 -4.286 141 HB3 TRP 17 HB3 TRP 17 3.067 -4.164 -3.377 142 HD1 TRP 17 HD1 TRP 17 4.120 -6.867 -5.954 143 HE1 TRP 17 HE1 TRP 17 5.967 -5.955 -7.427 144 HE3 TRP 17 HE3 TRP 17 4.586 -2.216 -3.899 145 HZ2 TRP 17 HZ2 TRP 17 7.569 -3.546 -7.639 146 HZ3 TRP 17 HZ3 TRP 17 6.366 -0.664 -4.683 147 HH2 TRP 17 HH2 TRP 17 7.855 -1.335 -6.578 148 H VAL 18 HN VAL 18 4.380 -4.169 -1.326 149 HA VAL 18 HA VAL 18 7.134 -4.104 -1.885 150 HB VAL 18 HB VAL 18 5.567 -3.041 0.485 151 HG11 VAL 18 HG11 VAL 18 7.474 -1.395 0.731 152 HG12 VAL 18 HG12 VAL 18 7.863 -3.045 1.201 153 HG13 VAL 18 HG13 VAL 18 8.427 -2.418 -0.367 154 HG21 VAL 18 HG21 VAL 18 6.567 -1.682 -2.055 155 HG22 VAL 18 HG22 VAL 18 4.880 -2.120 -1.707 156 HG23 VAL 18 HG23 VAL 18 5.675 -0.906 -0.730 157 H ALA 19 HN ALA 19 5.437 -5.853 0.810 158 HA ALA 19 HA ALA 19 7.760 -6.851 2.057 159 HB1 ALA 19 HB1 ALA 19 5.029 -8.149 1.770 160 HB2 ALA 19 HB2 ALA 19 6.240 -8.505 3.021 161 HB3 ALA 19 HB3 ALA 19 5.465 -6.930 2.988 162 H GLU 20 HN GLU 20 6.038 -8.161 -0.804 163 HA GLU 20 HA GLU 20 7.697 -10.526 -0.981 164 HB2 GLU 20 HB2 GLU 20 5.551 -10.530 -1.947 165 HB3 GLU 20 HB3 GLU 20 5.825 -9.059 -2.883 166 HG2 GLU 20 HG2 GLU 20 7.340 -10.154 -4.358 167 HG3 GLU 20 HG3 GLU 20 7.453 -11.572 -3.317 168 H VAL 21 HN VAL 21 7.944 -7.170 -2.254 169 HA VAL 21 HA VAL 21 10.281 -7.713 -3.846 170 HB VAL 21 HB VAL 21 9.183 -5.091 -2.769 171 HG11 VAL 21 HG11 VAL 21 10.508 -4.021 -4.546 172 HG12 VAL 21 HG12 VAL 21 11.567 -4.833 -3.388 173 HG13 VAL 21 HG13 VAL 21 11.243 -5.591 -4.967 174 HG21 VAL 21 HG21 VAL 21 8.351 -4.836 -5.100 175 HG22 VAL 21 HG22 VAL 21 8.925 -6.470 -5.488 176 HG23 VAL 21 HG23 VAL 21 7.617 -6.236 -4.321 177 H LEU 22 HN LEU 22 9.897 -6.677 -0.358 178 HA LEU 22 HA LEU 22 12.734 -6.432 0.000 179 HB2 LEU 22 HB2 LEU 22 10.335 -6.628 1.833 180 HB3 LEU 22 HB3 LEU 22 11.946 -6.908 2.481 181 HG LEU 22 HG LEU 22 12.710 -4.705 1.513 182 HD11 LEU 22 HD11 LEU 22 11.008 -3.018 0.976 183 HD12 LEU 22 HD12 LEU 22 9.729 -4.233 1.186 184 HD13 LEU 22 HD13 LEU 22 10.873 -4.382 -0.150 185 HD21 LEU 22 HD21 LEU 22 11.438 -3.330 3.232 186 HD22 LEU 22 HD22 LEU 22 12.231 -4.792 3.850 187 HD23 LEU 22 HD23 LEU 22 10.489 -4.797 3.586 188 H GLY 23 HN GLY 23 10.587 -9.224 -0.161 189 HA2 GLY 23 HA2 GLY 23 11.317 -11.475 -0.255 190 HA3 GLY 23 HA1 GLY 23 12.879 -11.025 0.444 191 H LYS 24 HN LYS 24 9.907 -9.782 1.834 192 HA LYS 24 HA LYS 24 10.123 -11.431 4.277 193 HB2 LYS 24 HB2 LYS 24 8.223 -9.281 3.287 194 HB3 LYS 24 HB3 LYS 24 7.831 -10.273 4.695 195 HG2 LYS 24 HG2 LYS 24 9.860 -9.515 5.821 196 HG3 LYS 24 HG3 LYS 24 10.289 -8.490 4.455 197 HD2 LYS 24 HD2 LYS 24 8.574 -6.950 4.879 198 HD3 LYS 24 HD3 LYS 24 7.536 -8.149 5.638 199 HE2 LYS 24 HE2 LYS 24 8.324 -6.647 7.384 200 HE3 LYS 24 HE3 LYS 24 9.066 -8.231 7.610 201 HZ1 LYS 24 HZ1 LYS 24 10.742 -6.702 7.907 202 HZ2 LYS 24 HZ2 LYS 24 10.378 -5.796 6.587 203 HZ3 LYS 24 HZ3 LYS 24 11.041 -7.307 6.439 204 H SER 25 HN SER 25 7.968 -12.600 4.875 205 HA SER 25 HA SER 25 6.438 -13.551 2.514 206 HB2 SER 25 HB2 SER 25 7.929 -15.365 4.434 207 HB3 SER 25 HB3 SER 25 6.760 -15.923 3.222 208 HG SER 25 HG SER 25 8.486 -14.306 2.014 209 H GLY 26 HN GLY 26 4.640 -15.234 3.680 210 HA2 GLY 26 HA2 GLY 26 3.080 -13.069 4.531 211 HA3 GLY 26 HA1 GLY 26 2.526 -14.743 4.361 212 H ASP 27 HN ASP 27 4.994 -14.458 6.544 213 HA ASP 27 HA ASP 27 3.198 -14.574 8.911 214 HB2 ASP 27 HB2 ASP 27 5.388 -16.131 8.350 215 HB3 ASP 27 HB3 ASP 27 6.178 -14.841 9.246 216 H GLU 28 HN GLU 28 5.729 -12.631 7.350 217 HA GLU 28 HA GLU 28 5.669 -10.535 9.415 218 HB2 GLU 28 HB2 GLU 28 7.353 -11.380 7.041 219 HB3 GLU 28 HB3 GLU 28 7.433 -9.757 7.650 220 HG2 GLU 28 HG2 GLU 28 7.670 -11.293 9.971 221 HG3 GLU 28 HG3 GLU 28 8.554 -12.231 8.796 222 H ALA 29 HN ALA 29 4.945 -11.290 6.027 223 HA ALA 29 HA ALA 29 4.761 -8.630 5.082 224 HB1 ALA 29 HB1 ALA 29 3.410 -11.107 3.930 225 HB2 ALA 29 HB2 ALA 29 3.780 -9.627 3.068 226 HB3 ALA 29 HB3 ALA 29 5.102 -10.670 3.651 227 H ASN 30 HN ASN 30 2.498 -10.480 6.824 228 HA ASN 30 HA ASN 30 0.032 -9.147 5.942 229 HB2 ASN 30 HB2 ASN 30 -1.055 -10.289 7.742 230 HB3 ASN 30 HB3 ASN 30 0.041 -11.453 6.963 231 HD21 ASN 30 HD21 ASN 30 1.636 -12.479 8.135 232 HD22 ASN 30 HD22 ASN 30 1.875 -12.120 9.807 233 H ALA 31 HN ALA 31 2.188 -9.090 8.645 234 HA ALA 31 HA ALA 31 1.000 -6.897 10.026 235 HB1 ALA 31 HB1 ALA 31 3.031 -7.016 11.431 236 HB2 ALA 31 HB2 ALA 31 2.386 -8.636 11.106 237 HB3 ALA 31 HB3 ALA 31 3.815 -8.059 10.223 238 H TYR 32 HN TYR 32 3.845 -7.088 7.787 239 HA TYR 32 HA TYR 32 4.458 -4.317 7.827 240 HB2 TYR 32 HB2 TYR 32 5.875 -6.081 6.802 241 HB3 TYR 32 HB3 TYR 32 4.688 -6.283 5.512 242 HD1 TYR 32 HD2 TYR 32 4.320 -4.453 3.861 243 HD2 TYR 32 HD1 TYR 32 7.484 -4.248 6.778 244 HE1 TYR 32 HE2 TYR 32 5.317 -2.530 2.653 245 HE2 TYR 32 HE1 TYR 32 8.414 -2.275 5.656 246 HH TYR 32 HH TYR 32 8.262 -0.868 3.859 247 H ALA 33 HN ALA 33 1.994 -6.144 5.979 248 HA ALA 33 HA ALA 33 1.044 -3.847 4.553 249 HB1 ALA 33 HB1 ALA 33 -0.358 -6.499 5.072 250 HB2 ALA 33 HB2 ALA 33 -0.709 -5.309 3.805 251 HB3 ALA 33 HB3 ALA 33 0.815 -6.181 3.771 252 H ALA 34 HN ALA 34 0.844 -4.251 7.849 253 HA ALA 34 HA ALA 34 -1.651 -2.615 7.979 254 HB1 ALA 34 HB1 ALA 34 -1.425 -2.817 10.412 255 HB2 ALA 34 HB2 ALA 34 -1.551 -4.415 9.649 256 HB3 ALA 34 HB3 ALA 34 0.021 -3.820 10.228 257 H GLU 35 HN GLU 35 1.920 -2.606 8.523 258 HA GLU 35 HA GLU 35 2.127 0.000 9.548 259 HB2 GLU 35 HB2 GLU 35 4.053 -1.462 7.675 260 HB3 GLU 35 HB3 GLU 35 4.420 -0.012 8.604 261 HG2 GLU 35 HG2 GLU 35 3.925 -1.285 10.709 262 HG3 GLU 35 HG3 GLU 35 3.664 -2.735 9.749 263 H VAL 36 HN VAL 36 2.238 -1.035 6.122 264 HA VAL 36 HA VAL 36 2.476 1.596 5.070 265 HB VAL 36 HB VAL 36 1.395 -0.947 3.764 266 HG11 VAL 36 HG11 VAL 36 0.828 0.897 2.267 267 HG12 VAL 36 HG12 VAL 36 2.450 1.595 2.446 268 HG13 VAL 36 HG13 VAL 36 2.213 0.045 1.599 269 HG21 VAL 36 HG21 VAL 36 3.716 -1.106 2.856 270 HG22 VAL 36 HG22 VAL 36 4.198 0.249 3.886 271 HG23 VAL 36 HG23 VAL 36 3.670 -1.280 4.612 272 H VAL 37 HN VAL 37 -0.272 0.275 6.652 273 HA VAL 37 HA VAL 37 -2.276 1.691 5.032 274 HB VAL 37 HB VAL 37 -2.497 0.388 7.764 275 HG11 VAL 37 HG11 VAL 37 -4.594 1.738 6.065 276 HG12 VAL 37 HG12 VAL 37 -4.971 0.633 7.387 277 HG13 VAL 37 HG13 VAL 37 -4.104 2.144 7.726 278 HG21 VAL 37 HG21 VAL 37 -2.162 -1.151 5.794 279 HG22 VAL 37 HG22 VAL 37 -3.718 -1.345 6.601 280 HG23 VAL 37 HG23 VAL 37 -3.615 -0.459 5.058 281 H LYS 38 HN LYS 38 -0.289 2.258 7.936 282 HA LYS 38 HA LYS 38 -1.602 4.508 8.974 283 HB2 LYS 38 HB2 LYS 38 0.345 2.728 9.708 284 HB3 LYS 38 HB3 LYS 38 1.369 4.092 9.265 285 HG2 LYS 38 HG2 LYS 38 -0.138 5.495 10.863 286 HG3 LYS 38 HG3 LYS 38 -0.893 3.931 11.271 287 HD2 LYS 38 HD2 LYS 38 0.727 4.440 12.969 288 HD3 LYS 38 HD3 LYS 38 1.393 3.117 12.006 289 HE2 LYS 38 HE2 LYS 38 2.810 4.725 10.753 290 HE3 LYS 38 HE3 LYS 38 2.071 6.083 11.617 291 HZ1 LYS 38 HZ1 LYS 38 3.048 5.336 13.626 292 HZ2 LYS 38 HZ2 LYS 38 4.229 5.414 12.487 293 HZ3 LYS 38 HZ3 LYS 38 3.654 3.941 12.912 294 H ALA 39 HN ALA 39 -0.340 6.541 9.330 295 HA ALA 39 HA ALA 39 0.466 8.509 8.769 296 HB1 ALA 39 HB1 ALA 39 2.527 7.354 8.088 297 HB2 ALA 39 HB2 ALA 39 1.901 7.260 6.421 298 HB3 ALA 39 HB3 ALA 39 2.194 8.830 7.169 299 H ASP 40 HN ASP 40 -1.198 6.756 6.187 300 HA ASP 40 HA ASP 40 -1.723 8.993 4.534 301 HB2 ASP 40 HB2 ASP 40 -2.716 7.568 3.194 302 HB3 ASP 40 HB3 ASP 40 -2.068 6.329 4.272 303 H PHE 41 HN PHE 41 -3.263 7.990 7.494 304 HA PHE 41 HA PHE 41 -5.452 9.923 7.105 305 HB2 PHE 41 HB2 PHE 41 -6.430 8.916 9.109 306 HB3 PHE 41 HB3 PHE 41 -6.203 7.858 7.730 307 HD1 PHE 41 HD2 PHE 41 -3.215 8.381 9.806 308 HD2 PHE 41 HD1 PHE 41 -6.727 5.988 9.185 309 HE1 PHE 41 HE2 PHE 41 -2.230 6.593 11.190 310 HE2 PHE 41 HE1 PHE 41 -5.750 4.185 10.579 311 HZ PHE 41 HZ PHE 41 -3.486 4.456 11.550 312 H GLU 42 HN GLU 42 -2.475 10.545 7.930 313 HA GLU 42 HA GLU 42 -3.254 12.574 9.927 314 HB2 GLU 42 HB2 GLU 42 -1.386 11.972 11.446 315 HB3 GLU 42 HB3 GLU 42 -2.711 10.800 11.370 316 HG2 GLU 42 HG2 GLU 42 -1.306 9.395 9.820 317 HG3 GLU 42 HG3 GLU 42 0.001 10.530 9.992 318 H GLU 43 HN GLU 43 -0.538 11.394 7.814 319 HA GLU 43 HA GLU 43 0.669 14.071 7.885 320 HB2 GLU 43 HB2 GLU 43 1.458 11.433 6.944 321 HB3 GLU 43 HB3 GLU 43 1.638 12.582 5.631 322 HG2 GLU 43 HG2 GLU 43 2.710 13.167 8.410 323 HG3 GLU 43 HG3 GLU 43 3.611 12.192 7.284 324 H ALA 44 HN ALA 44 1.014 15.071 5.637 325 HA ALA 44 HA ALA 44 -1.479 16.242 5.144 326 HB1 ALA 44 HB1 ALA 44 -0.191 17.820 3.822 327 HB2 ALA 44 HB2 ALA 44 0.752 17.347 5.242 328 HB3 ALA 44 HB3 ALA 44 1.143 16.652 3.651 329 H GLY 45 HN GLY 45 -1.634 13.518 4.112 330 HA2 GLY 45 HA2 GLY 45 -3.183 13.066 2.142 331 HA3 GLY 45 HA1 GLY 45 -1.893 13.797 1.162 332 H HIS 46 HN HIS 46 -2.003 11.439 0.265 333 HA HIS 46 HA HIS 46 -0.908 9.282 1.696 334 HB2 HIS 46 HB2 HIS 46 -0.514 9.728 -1.277 335 HB3 HIS 46 HB3 HIS 46 -0.672 8.206 -0.415 336 HD1 HIS 46 HD1 HIS 46 -2.847 10.914 -2.038 337 HD2 HIS 46 HD2 HIS 46 -3.161 7.466 0.368 338 HE1 HIS 46 HE1 HIS 46 -5.308 10.353 -1.917 339 H GLU 47 HN GLU 47 0.805 12.111 1.270 340 HA GLU 47 HA GLU 47 2.977 11.293 -0.272 341 HB2 GLU 47 HB2 GLU 47 4.040 13.314 0.327 342 HB3 GLU 47 HB3 GLU 47 2.331 13.632 0.142 343 HG2 GLU 47 HG2 GLU 47 2.014 13.919 2.504 344 HG3 GLU 47 HG3 GLU 47 3.609 13.235 2.878 345 H ASP 48 HN ASP 48 2.529 10.867 3.238 346 HA ASP 48 HA ASP 48 5.322 10.029 3.559 347 HB2 ASP 48 HB2 ASP 48 4.246 11.441 5.237 348 HB3 ASP 48 HB3 ASP 48 3.078 10.158 5.582 349 H VAL 49 HN VAL 49 2.165 8.565 2.983 350 HA VAL 49 HA VAL 49 2.822 5.841 3.594 351 HB VAL 49 HB VAL 49 1.263 6.813 1.147 352 HG11 VAL 49 HG11 VAL 49 1.272 4.138 2.576 353 HG12 VAL 49 HG12 VAL 49 0.110 4.621 1.312 354 HG13 VAL 49 HG13 VAL 49 1.823 4.492 0.915 355 HG21 VAL 49 HG21 VAL 49 -0.745 6.485 2.461 356 HG22 VAL 49 HG22 VAL 49 0.232 6.127 3.915 357 HG23 VAL 49 HG23 VAL 49 0.251 7.751 3.182 358 H MET 50 HN MET 50 3.621 7.951 0.813 359 HA MET 50 HA MET 50 4.921 5.816 -0.632 360 HB2 MET 50 HB2 MET 50 5.464 8.772 -1.042 361 HB3 MET 50 HB3 MET 50 5.685 7.453 -2.168 362 HG2 MET 50 HG2 MET 50 3.161 8.778 -1.276 363 HG3 MET 50 HG3 MET 50 3.735 8.488 -2.906 364 HE1 MET 50 HE1 MET 50 4.338 5.195 -2.633 365 HE2 MET 50 HE2 MET 50 2.806 4.597 -3.272 366 HE3 MET 50 HE3 MET 50 3.615 5.967 -4.063 367 H ARG 51 HN ARG 51 6.211 8.379 1.653 368 HA ARG 51 HA ARG 51 8.933 7.608 1.460 369 HB2 ARG 51 HB2 ARG 51 7.266 8.677 3.765 370 HB3 ARG 51 HB3 ARG 51 9.002 8.614 3.698 371 HG2 ARG 51 HG2 ARG 51 9.016 10.230 1.813 372 HG3 ARG 51 HG3 ARG 51 7.236 10.312 1.884 373 HD2 ARG 51 HD2 ARG 51 7.369 11.000 4.251 374 HD3 ARG 51 HD3 ARG 51 9.122 10.918 4.206 375 HE ARG 51 HE ARG 51 7.359 13.023 3.368 376 HH11 ARG 51 HH11 ARG 51 10.605 11.663 2.784 377 HH12 ARG 51 HH12 ARG 51 11.311 13.198 2.373 378 HH21 ARG 51 HH21 ARG 51 8.290 15.035 2.795 379 HH22 ARG 51 HH22 ARG 51 9.987 15.168 2.461 380 H LYS 52 HN LYS 52 6.182 6.361 3.396 381 HA LYS 52 HA LYS 52 7.561 4.762 5.125 382 HB2 LYS 52 HB2 LYS 52 5.012 5.297 4.921 383 HB3 LYS 52 HB3 LYS 52 4.909 3.828 3.961 384 HG2 LYS 52 HG2 LYS 52 5.992 4.013 6.808 385 HG3 LYS 52 HG3 LYS 52 4.325 3.674 6.411 386 HD2 LYS 52 HD2 LYS 52 4.688 1.514 6.110 387 HD3 LYS 52 HD3 LYS 52 5.974 1.770 4.955 388 HE2 LYS 52 HE2 LYS 52 6.220 1.750 7.998 389 HE3 LYS 52 HE3 LYS 52 6.710 0.457 6.894 390 HZ1 LYS 52 HZ1 LYS 52 7.997 3.131 7.085 391 HZ2 LYS 52 HZ2 LYS 52 8.362 2.020 5.932 392 HZ3 LYS 52 HZ3 LYS 52 8.632 1.680 7.494 393 H VAL 53 HN VAL 53 6.545 3.912 1.790 394 HA VAL 53 HA VAL 53 7.850 1.287 2.069 395 HB VAL 53 HB VAL 53 6.934 0.910 -0.173 396 HG11 VAL 53 HG11 VAL 53 5.738 0.207 1.757 397 HG12 VAL 53 HG12 VAL 53 4.934 1.800 1.919 398 HG13 VAL 53 HG13 VAL 53 4.589 0.755 0.517 399 HG21 VAL 53 HG21 VAL 53 5.470 3.570 0.088 400 HG22 VAL 53 HG22 VAL 53 6.846 3.307 -0.996 401 HG23 VAL 53 HG23 VAL 53 5.356 2.391 -1.235 402 H LEU 54 HN LEU 54 8.492 4.432 0.480 403 HA LEU 54 HA LEU 54 10.530 3.348 -1.253 404 HB2 LEU 54 HB2 LEU 54 9.783 6.162 -0.388 405 HB3 LEU 54 HB3 LEU 54 11.110 5.840 -1.475 406 HG LEU 54 HG LEU 54 8.279 4.921 -2.090 407 HD11 LEU 54 HD11 LEU 54 8.069 6.871 -3.537 408 HD12 LEU 54 HD12 LEU 54 9.707 7.397 -3.148 409 HD13 LEU 54 HD13 LEU 54 8.444 7.422 -1.902 410 HD21 LEU 54 HD21 LEU 54 9.127 4.771 -4.410 411 HD22 LEU 54 HD22 LEU 54 10.035 3.703 -3.335 412 HD23 LEU 54 HD23 LEU 54 10.748 5.240 -3.858 413 H GLY 55 HN GLY 55 10.568 4.830 2.011 414 HA2 GLY 55 HA2 GLY 55 13.438 4.859 2.256 415 HA3 GLY 55 HA1 GLY 55 12.249 4.946 3.567 416 H ASP 56 HN ASP 56 10.847 2.513 3.210 417 HA ASP 56 HA ASP 56 12.652 0.672 4.439 418 HB2 ASP 56 HB2 ASP 56 9.783 0.734 3.801 419 HB3 ASP 56 HB3 ASP 56 10.455 -0.851 3.538 420 H LEU 57 HN LEU 57 11.498 0.924 1.048 421 HA LEU 57 HA LEU 57 12.722 -1.534 0.176 422 HB2 LEU 57 HB2 LEU 57 12.025 1.080 -1.211 423 HB3 LEU 57 HB3 LEU 57 13.007 -0.106 -2.044 424 HG LEU 57 HG LEU 57 10.191 -0.649 -1.023 425 HD11 LEU 57 HD11 LEU 57 9.681 -0.512 -3.485 426 HD12 LEU 57 HD12 LEU 57 11.397 -0.314 -3.851 427 HD13 LEU 57 HD13 LEU 57 10.590 0.976 -3.045 428 HD21 LEU 57 HD21 LEU 57 10.257 -2.722 -2.189 429 HD22 LEU 57 HD22 LEU 57 11.757 -2.701 -1.250 430 HD23 LEU 57 HD23 LEU 57 11.815 -2.355 -2.971 431 H ASP 58 HN ASP 58 14.016 1.647 0.951 432 HA ASP 58 HA ASP 58 16.105 2.369 1.275 433 HB2 ASP 58 HB2 ASP 58 16.150 -0.045 2.259 434 HB3 ASP 58 HB3 ASP 58 17.180 -0.430 0.879 435 H GLY 59 HN GLY 59 15.073 1.499 -1.642 436 HA2 GLY 59 HA2 GLY 59 16.034 2.370 -3.692 437 HA3 GLY 59 HA1 GLY 59 17.636 1.962 -3.112 438 H LYS 60 HN LYS 60 15.290 -0.536 -2.378 439 HA LYS 60 HA LYS 60 16.501 -2.445 -4.027 440 HB2 LYS 60 HB2 LYS 60 14.171 -2.290 -2.297 441 HB3 LYS 60 HB3 LYS 60 13.946 -3.412 -3.614 442 HG2 LYS 60 HG2 LYS 60 16.163 -4.476 -2.957 443 HG3 LYS 60 HG3 LYS 60 16.134 -3.472 -1.496 444 HD2 LYS 60 HD2 LYS 60 13.999 -4.442 -0.817 445 HD3 LYS 60 HD3 LYS 60 13.862 -5.350 -2.322 446 HE2 LYS 60 HE2 LYS 60 16.283 -5.777 -0.573 447 HE3 LYS 60 HE3 LYS 60 14.749 -6.475 -0.056 448 HZ1 LYS 60 HZ1 LYS 60 14.640 -7.784 -2.037 449 HZ2 LYS 60 HZ2 LYS 60 16.112 -7.984 -1.362 450 HZ3 LYS 60 HZ3 LYS 60 15.966 -7.053 -2.695 451 H ARG 61 HN ARG 61 13.906 -0.174 -4.883 452 HA ARG 61 HA ARG 61 13.909 -1.241 -7.577 453 HB2 ARG 61 HB2 ARG 61 11.371 -1.214 -5.847 454 HB3 ARG 61 HB3 ARG 61 11.268 -1.041 -7.586 455 HG2 ARG 61 HG2 ARG 61 12.470 -3.438 -6.157 456 HG3 ARG 61 HG3 ARG 61 10.856 -3.341 -6.869 457 HD2 ARG 61 HD2 ARG 61 11.814 -2.959 -9.089 458 HD3 ARG 61 HD3 ARG 61 13.457 -3.064 -8.439 459 HE ARG 61 HE ARG 61 12.750 -5.385 -7.637 460 HH11 ARG 61 HH11 ARG 61 11.422 -3.987 -10.662 461 HH12 ARG 61 HH12 ARG 61 11.359 -5.499 -11.468 462 HH21 ARG 61 HH21 ARG 61 12.339 -7.367 -8.589 463 HH22 ARG 61 HH22 ARG 61 11.624 -7.492 -10.160 464 HA PRO 62 HA PRO 62 13.738 3.014 -8.411 465 HB2 PRO 62 HB2 PRO 62 12.171 3.103 -10.732 466 HB3 PRO 62 HB3 PRO 62 13.928 2.728 -10.686 467 HG2 PRO 62 HG2 PRO 62 11.590 0.878 -10.903 468 HG3 PRO 62 HG3 PRO 62 13.204 0.715 -11.660 469 HD2 PRO 62 HD2 PRO 62 12.416 -0.688 -9.456 470 HD3 PRO 62 HD3 PRO 62 14.098 -0.192 -9.707 471 H GLU 63 HN GLU 63 12.436 4.823 -8.100 472 HA GLU 63 HA GLU 63 10.044 4.579 -6.698 473 HB2 GLU 63 HB2 GLU 63 11.466 6.569 -6.609 474 HB3 GLU 63 HB3 GLU 63 11.080 6.935 -8.316 475 HG2 GLU 63 HG2 GLU 63 8.725 7.275 -7.762 476 HG3 GLU 63 HG3 GLU 63 8.977 6.693 -6.113 477 H ALA 64 HN ALA 64 10.512 5.093 -10.256 478 HA ALA 64 HA ALA 64 7.809 5.520 -10.819 479 HB1 ALA 64 HB1 ALA 64 9.564 5.908 -12.493 480 HB2 ALA 64 HB2 ALA 64 9.959 4.176 -12.539 481 HB3 ALA 64 HB3 ALA 64 8.397 4.742 -13.152 482 H GLU 65 HN GLU 65 9.479 2.305 -10.487 483 HA GLU 65 HA GLU 65 7.245 0.813 -11.386 484 HB2 GLU 65 HB2 GLU 65 9.600 -0.016 -11.184 485 HB3 GLU 65 HB3 GLU 65 9.413 -0.065 -9.416 486 HG2 GLU 65 HG2 GLU 65 7.569 -1.690 -9.664 487 HG3 GLU 65 HG3 GLU 65 7.661 -1.511 -11.421 488 H VAL 66 HN VAL 66 8.198 2.004 -8.197 489 HA VAL 66 HA VAL 66 6.121 0.795 -6.648 490 HB VAL 66 HB VAL 66 7.657 3.385 -6.165 491 HG11 VAL 66 HG11 VAL 66 7.218 3.102 -3.827 492 HG12 VAL 66 HG12 VAL 66 5.670 3.087 -4.677 493 HG13 VAL 66 HG13 VAL 66 6.388 1.570 -4.109 494 HG21 VAL 66 HG21 VAL 66 8.391 0.584 -5.257 495 HG22 VAL 66 HG22 VAL 66 9.229 1.490 -6.524 496 HG23 VAL 66 HG23 VAL 66 9.259 2.084 -4.882 497 H ARG 67 HN ARG 67 6.411 3.991 -8.217 498 HA ARG 67 HA ARG 67 3.978 5.154 -7.389 499 HB2 ARG 67 HB2 ARG 67 5.496 5.435 -10.040 500 HB3 ARG 67 HB3 ARG 67 4.181 6.499 -9.556 501 HG2 ARG 67 HG2 ARG 67 6.417 6.208 -7.600 502 HG3 ARG 67 HG3 ARG 67 6.836 6.962 -9.140 503 HD2 ARG 67 HD2 ARG 67 5.437 8.776 -8.785 504 HD3 ARG 67 HD3 ARG 67 4.379 7.868 -7.699 505 HE ARG 67 HE ARG 67 7.150 8.715 -6.915 506 HH11 ARG 67 HH11 ARG 67 3.644 8.904 -6.255 507 HH12 ARG 67 HH12 ARG 67 3.873 9.673 -4.723 508 HH21 ARG 67 HH21 ARG 67 7.419 9.561 -4.952 509 HH22 ARG 67 HH22 ARG 67 6.119 10.274 -4.036 510 H ALA 68 HN ALA 68 4.661 3.511 -10.466 511 HA ALA 68 HA ALA 68 1.994 3.385 -11.435 512 HB1 ALA 68 HB1 ALA 68 4.312 1.460 -11.879 513 HB2 ALA 68 HB2 ALA 68 2.805 1.478 -12.826 514 HB3 ALA 68 HB3 ALA 68 3.894 2.871 -12.868 515 H LYS 69 HN LYS 69 3.735 1.032 -9.319 516 HA LYS 69 HA LYS 69 1.713 -0.902 -9.286 517 HB2 LYS 69 HB2 LYS 69 4.140 -1.031 -8.351 518 HB3 LYS 69 HB3 LYS 69 3.463 -0.323 -6.882 519 HG2 LYS 69 HG2 LYS 69 3.238 -2.590 -6.454 520 HG3 LYS 69 HG3 LYS 69 1.678 -2.247 -7.128 521 HD2 LYS 69 HD2 LYS 69 2.759 -2.941 -9.437 522 HD3 LYS 69 HD3 LYS 69 4.053 -3.575 -8.439 523 HE2 LYS 69 HE2 LYS 69 2.594 -5.429 -8.730 524 HE3 LYS 69 HE3 LYS 69 2.223 -4.814 -7.114 525 HZ1 LYS 69 HZ1 LYS 69 0.138 -4.981 -8.047 526 HZ2 LYS 69 HZ2 LYS 69 0.660 -4.654 -9.573 527 HZ3 LYS 69 HZ3 LYS 69 0.476 -3.437 -8.529 528 H TYR 70 HN TYR 70 2.057 1.995 -7.194 529 HA TYR 70 HA TYR 70 -0.209 1.265 -5.521 530 HB2 TYR 70 HB2 TYR 70 1.790 2.682 -4.856 531 HB3 TYR 70 HB3 TYR 70 1.150 3.957 -5.855 532 HD1 TYR 70 HD1 TYR 70 -0.055 1.648 -3.043 533 HD2 TYR 70 HD2 TYR 70 -0.076 5.618 -4.782 534 HE1 TYR 70 HE1 TYR 70 -1.072 2.558 -0.991 535 HE2 TYR 70 HE2 TYR 70 -1.172 6.496 -2.728 536 HH TYR 70 HH TYR 70 -1.944 4.426 0.086 537 H GLU 71 HN GLU 71 0.383 3.632 -8.143 538 HA GLU 71 HA GLU 71 -2.118 4.869 -8.262 539 HB2 GLU 71 HB2 GLU 71 -0.100 4.224 -10.460 540 HB3 GLU 71 HB3 GLU 71 -1.489 5.267 -10.721 541 HG2 GLU 71 HG2 GLU 71 0.645 5.849 -8.616 542 HG3 GLU 71 HG3 GLU 71 0.723 6.428 -10.284 543 H GLY 72 HN GLY 72 -1.041 1.893 -9.982 544 HA2 GLY 72 HA2 GLY 72 -3.498 1.557 -11.440 545 HA3 GLY 72 HA1 GLY 72 -2.141 0.421 -11.309 546 H LEU 73 HN LEU 73 -2.843 0.912 -8.148 547 HA LEU 73 HA LEU 73 -4.014 -1.677 -7.974 548 HB2 LEU 73 HB2 LEU 73 -2.246 -0.289 -6.441 549 HB3 LEU 73 HB3 LEU 73 -3.683 0.193 -5.606 550 HG LEU 73 HG LEU 73 -4.177 -2.127 -4.955 551 HD11 LEU 73 HD11 LEU 73 -2.497 -3.939 -5.558 552 HD12 LEU 73 HD12 LEU 73 -1.775 -2.834 -6.737 553 HD13 LEU 73 HD13 LEU 73 -3.437 -3.404 -6.947 554 HD21 LEU 73 HD21 LEU 73 -1.983 -2.469 -3.708 555 HD22 LEU 73 HD22 LEU 73 -2.518 -0.773 -3.688 556 HD23 LEU 73 HD23 LEU 73 -1.213 -1.302 -4.752 557 H MET 74 HN MET 74 -5.341 1.529 -8.004 558 HA MET 74 HA MET 74 -7.213 1.243 -5.917 559 HB2 MET 74 HB2 MET 74 -6.662 3.377 -6.956 560 HB3 MET 74 HB3 MET 74 -7.532 2.944 -8.428 561 HG2 MET 74 HG2 MET 74 -9.617 2.994 -7.356 562 HG3 MET 74 HG3 MET 74 -8.932 2.814 -5.749 563 HE1 MET 74 HE1 MET 74 -6.816 4.942 -5.226 564 HE2 MET 74 HE2 MET 74 -7.865 6.237 -4.608 565 HE3 MET 74 HE3 MET 74 -8.229 4.549 -4.211 566 H ALA 75 HN ALA 75 -7.576 0.318 -9.361 567 HA ALA 75 HA ALA 75 -10.243 -0.669 -9.152 568 HB1 ALA 75 HB1 ALA 75 -9.754 -1.911 -11.172 569 HB2 ALA 75 HB2 ALA 75 -8.972 -0.328 -11.292 570 HB3 ALA 75 HB3 ALA 75 -8.007 -1.765 -10.902 571 H VAL 76 HN VAL 76 -7.039 -2.216 -8.421 572 HA VAL 76 HA VAL 76 -8.195 -4.877 -8.207 573 HB VAL 76 HB VAL 76 -5.612 -3.853 -6.990 574 HG11 VAL 76 HG11 VAL 76 -6.365 -6.118 -6.227 575 HG12 VAL 76 HG12 VAL 76 -6.431 -6.645 -7.916 576 HG13 VAL 76 HG13 VAL 76 -4.878 -6.186 -7.186 577 HG21 VAL 76 HG21 VAL 76 -5.517 -3.291 -9.376 578 HG22 VAL 76 HG22 VAL 76 -4.500 -4.703 -9.077 579 HG23 VAL 76 HG23 VAL 76 -6.103 -4.914 -9.808 580 H ALA 77 HN ALA 77 -7.354 -2.270 -5.985 581 HA ALA 77 HA ALA 77 -7.972 -3.456 -3.554 582 HB1 ALA 77 HB1 ALA 77 -6.791 -1.328 -3.763 583 HB2 ALA 77 HB2 ALA 77 -8.250 -0.528 -4.382 584 HB3 ALA 77 HB3 ALA 77 -8.223 -1.136 -2.721 585 H LYS 78 HN LYS 78 -10.051 -1.282 -5.600 586 HA LYS 78 HA LYS 78 -12.393 -1.561 -4.006 587 HB2 LYS 78 HB2 LYS 78 -12.003 -0.832 -6.940 588 HB3 LYS 78 HB3 LYS 78 -13.576 -0.775 -6.143 589 HG2 LYS 78 HG2 LYS 78 -12.932 0.984 -4.671 590 HG3 LYS 78 HG3 LYS 78 -11.214 0.732 -4.977 591 HD2 LYS 78 HD2 LYS 78 -11.810 2.715 -6.145 592 HD3 LYS 78 HD3 LYS 78 -11.526 1.446 -7.339 593 HE2 LYS 78 HE2 LYS 78 -14.175 1.138 -7.172 594 HE3 LYS 78 HE3 LYS 78 -14.105 2.784 -6.507 595 HZ1 LYS 78 HZ1 LYS 78 -12.755 3.306 -8.570 596 HZ2 LYS 78 HZ2 LYS 78 -14.335 3.009 -8.854 597 HZ3 LYS 78 HZ3 LYS 78 -13.192 1.854 -9.161 598 H ALA 79 HN ALA 79 -11.318 -3.515 -6.862 599 HA ALA 79 HA ALA 79 -13.719 -5.028 -7.012 600 HB1 ALA 79 HB1 ALA 79 -10.869 -5.798 -7.747 601 HB2 ALA 79 HB2 ALA 79 -12.345 -6.633 -8.264 602 HB3 ALA 79 HB3 ALA 79 -12.047 -4.980 -8.806 603 H GLN 80 HN GLN 80 -10.991 -5.325 -4.667 604 HA GLN 80 HA GLN 80 -11.963 -7.913 -3.740 605 HB2 GLN 80 HB2 GLN 80 -10.134 -5.848 -2.447 606 HB3 GLN 80 HB3 GLN 80 -10.674 -7.326 -1.649 607 HG2 GLN 80 HG2 GLN 80 -9.733 -8.664 -3.576 608 HG3 GLN 80 HG3 GLN 80 -9.093 -7.176 -4.251 609 HE21 GLN 80 HE21 GLN 80 -7.050 -8.536 -4.106 610 HE22 GLN 80 HE22 GLN 80 -6.146 -8.497 -2.604 611 H LEU 81 HN LEU 81 -12.837 -4.498 -2.977 612 HA LEU 81 HA LEU 81 -14.313 -5.268 -0.574 613 HB2 LEU 81 HB2 LEU 81 -14.191 -3.113 -0.079 614 HB3 LEU 81 HB3 LEU 81 -13.101 -3.005 -1.406 615 HG LEU 81 HG LEU 81 -15.217 -2.454 -2.831 616 HD11 LEU 81 HD11 LEU 81 -17.063 -1.437 -1.640 617 HD12 LEU 81 HD12 LEU 81 -16.208 -1.589 -0.068 618 HD13 LEU 81 HD13 LEU 81 -16.797 -3.003 -0.890 619 HD21 LEU 81 HD21 LEU 81 -15.018 -0.045 -2.221 620 HD22 LEU 81 HD22 LEU 81 -13.458 -0.813 -2.358 621 HD23 LEU 81 HD23 LEU 81 -14.107 -0.510 -0.748 622 H MET 82 HN MET 82 -15.161 -4.548 -3.907 623 HA MET 82 HA MET 82 -18.001 -4.629 -3.494 624 HB2 MET 82 HB2 MET 82 -16.313 -5.170 -5.977 625 HB3 MET 82 HB3 MET 82 -18.063 -4.888 -5.983 626 HG2 MET 82 HG2 MET 82 -15.972 -2.915 -5.010 627 HG3 MET 82 HG3 MET 82 -16.758 -2.861 -6.559 628 HE1 MET 82 HE1 MET 82 -17.013 -0.196 -5.524 629 HE2 MET 82 HE2 MET 82 -17.951 0.120 -4.041 630 HE3 MET 82 HE3 MET 82 -16.418 -0.773 -3.956 631 H ASP 83 HN ASP 83 -15.951 -7.024 -2.852 632 HA ASP 83 HA ASP 83 -17.562 -9.310 -3.825 633 HB2 ASP 83 HB2 ASP 83 -15.450 -8.354 -5.095 634 HB3 ASP 83 HB3 ASP 83 -14.533 -9.137 -3.812 635 H GLU 84 HN GLU 84 -15.548 -7.831 -1.396 636 HA GLU 84 HA GLU 84 -14.298 -9.664 -0.092 637 HB2 GLU 84 HB2 GLU 84 -14.155 -8.233 1.843 638 HB3 GLU 84 HB3 GLU 84 -14.116 -7.273 0.372 639 HG2 GLU 84 HG2 GLU 84 -16.647 -7.054 0.675 640 HG3 GLU 84 HG3 GLU 84 -16.419 -7.625 2.328 641 H LEU 85 HN LEU 85 -17.660 -9.379 0.205 642 HA LEU 85 HA LEU 85 -17.742 -11.171 2.617 643 HB2 LEU 85 HB2 LEU 85 -18.854 -8.760 2.662 644 HB3 LEU 85 HB3 LEU 85 -20.141 -9.567 1.768 645 HG LEU 85 HG LEU 85 -19.033 -10.420 4.477 646 HD11 LEU 85 HD11 LEU 85 -21.661 -9.079 3.732 647 HD12 LEU 85 HD12 LEU 85 -20.292 -8.313 4.575 648 HD13 LEU 85 HD13 LEU 85 -21.197 -9.617 5.359 649 HD21 LEU 85 HD21 LEU 85 -19.867 -12.391 3.321 650 HD22 LEU 85 HD22 LEU 85 -21.367 -11.540 2.873 651 HD23 LEU 85 HD23 LEU 85 -21.005 -11.936 4.574 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -18.080 9.907 0.116 2 HA2 GLY 1 HA2 GLY 1 -18.647 7.510 0.283 3 HA3 GLY 1 HA1 GLY 1 -18.620 8.076 -1.395 4 H MET 2 HN MET 2 -17.906 5.465 0.172 5 HA MET 2 HA MET 2 -16.532 3.715 0.171 6 HB2 MET 2 HB2 MET 2 -15.737 4.764 -2.570 7 HB3 MET 2 HB3 MET 2 -15.446 3.138 -1.967 8 HG2 MET 2 HG2 MET 2 -17.856 2.740 -1.774 9 HG3 MET 2 HG3 MET 2 -18.192 4.373 -2.367 10 HE1 MET 2 HE1 MET 2 -19.851 2.851 -4.226 11 HE2 MET 2 HE2 MET 2 -19.112 1.558 -5.186 12 HE3 MET 2 HE3 MET 2 -19.177 1.409 -3.423 13 H GLN 3 HN GLN 3 -14.899 6.726 -0.040 14 HA GLN 3 HA GLN 3 -12.479 5.960 -0.865 15 HB2 GLN 3 HB2 GLN 3 -13.675 8.364 -0.265 16 HB3 GLN 3 HB3 GLN 3 -12.400 8.296 0.953 17 HG2 GLN 3 HG2 GLN 3 -10.824 7.575 -0.992 18 HG3 GLN 3 HG3 GLN 3 -12.146 8.037 -2.072 19 HE21 GLN 3 HE21 GLN 3 -9.848 9.157 0.322 20 HE22 GLN 3 HE22 GLN 3 -9.870 10.842 -0.128 21 H PHE 4 HN PHE 4 -13.460 5.634 2.355 22 HA PHE 4 HA PHE 4 -10.846 5.681 3.752 23 HB2 PHE 4 HB2 PHE 4 -13.628 5.848 4.546 24 HB3 PHE 4 HB3 PHE 4 -12.726 4.730 5.530 25 HD1 PHE 4 HD2 PHE 4 -11.926 8.086 3.970 26 HD2 PHE 4 HD1 PHE 4 -11.985 5.610 7.510 27 HE1 PHE 4 HE2 PHE 4 -10.975 9.933 5.279 28 HE2 PHE 4 HE1 PHE 4 -11.026 7.481 8.813 29 HZ PHE 4 HZ PHE 4 -10.612 9.691 7.741 30 H LYS 5 HN LYS 5 -13.684 3.640 3.049 31 HA LYS 5 HA LYS 5 -12.682 1.164 3.995 32 HB2 LYS 5 HB2 LYS 5 -14.753 1.919 1.945 33 HB3 LYS 5 HB3 LYS 5 -14.228 0.242 2.094 34 HG2 LYS 5 HG2 LYS 5 -15.262 1.880 4.443 35 HG3 LYS 5 HG3 LYS 5 -16.240 0.838 3.431 36 HD2 LYS 5 HD2 LYS 5 -15.810 -0.859 4.794 37 HD3 LYS 5 HD3 LYS 5 -14.165 -0.890 4.176 38 HE2 LYS 5 HE2 LYS 5 -13.341 0.478 5.942 39 HE3 LYS 5 HE3 LYS 5 -14.978 0.984 6.414 40 HZ1 LYS 5 HZ1 LYS 5 -15.395 -1.266 7.182 41 HZ2 LYS 5 HZ2 LYS 5 -14.132 -0.605 7.963 42 HZ3 LYS 5 HZ3 LYS 5 -13.872 -1.729 6.785 43 H ALA 6 HN ALA 6 -12.593 2.633 0.731 44 HA ALA 6 HA ALA 6 -10.858 0.720 -0.461 45 HB1 ALA 6 HB1 ALA 6 -10.571 2.437 -2.208 46 HB2 ALA 6 HB2 ALA 6 -12.280 2.280 -1.753 47 HB3 ALA 6 HB3 ALA 6 -11.322 3.658 -1.169 48 H GLU 7 HN GLU 7 -10.157 3.790 1.356 49 HA GLU 7 HA GLU 7 -7.443 4.039 0.678 50 HB2 GLU 7 HB2 GLU 7 -9.149 4.817 3.013 51 HB3 GLU 7 HB3 GLU 7 -7.415 4.935 3.244 52 HG2 GLU 7 HG2 GLU 7 -7.160 6.707 1.826 53 HG3 GLU 7 HG3 GLU 7 -8.438 6.209 0.744 54 H ALA 8 HN ALA 8 -8.602 2.382 3.655 55 HA ALA 8 HA ALA 8 -6.042 1.378 4.289 56 HB1 ALA 8 HB1 ALA 8 -7.938 1.409 5.876 57 HB2 ALA 8 HB2 ALA 8 -8.712 0.094 4.960 58 HB3 ALA 8 HB3 ALA 8 -7.170 -0.182 5.793 59 H ARG 9 HN ARG 9 -8.546 -0.063 2.169 60 HA ARG 9 HA ARG 9 -7.129 -2.542 1.913 61 HB2 ARG 9 HB2 ARG 9 -9.584 -2.240 1.533 62 HB3 ARG 9 HB3 ARG 9 -9.233 -1.394 0.031 63 HG2 ARG 9 HG2 ARG 9 -9.914 -3.802 -0.207 64 HG3 ARG 9 HG3 ARG 9 -8.374 -3.417 -0.984 65 HD2 ARG 9 HD2 ARG 9 -7.105 -4.556 0.622 66 HD3 ARG 9 HD3 ARG 9 -8.370 -4.528 1.821 67 HE ARG 9 HE ARG 9 -8.095 -6.380 -0.457 68 HH11 ARG 9 HH11 ARG 9 -10.293 -5.423 2.197 69 HH12 ARG 9 HH12 ARG 9 -11.000 -6.971 2.342 70 HH21 ARG 9 HH21 ARG 9 -8.950 -8.370 -0.268 71 HH22 ARG 9 HH22 ARG 9 -10.195 -8.763 0.865 72 H ARG 10 HN ARG 10 -6.918 0.537 0.162 73 HA ARG 10 HA ARG 10 -5.288 -0.296 -2.031 74 HB2 ARG 10 HB2 ARG 10 -6.485 2.002 -1.521 75 HB3 ARG 10 HB3 ARG 10 -5.066 2.360 -0.564 76 HG2 ARG 10 HG2 ARG 10 -3.823 1.720 -2.894 77 HG3 ARG 10 HG3 ARG 10 -5.404 2.130 -3.549 78 HD2 ARG 10 HD2 ARG 10 -3.842 3.918 -1.637 79 HD3 ARG 10 HD3 ARG 10 -3.710 4.064 -3.390 80 HE ARG 10 HE ARG 10 -6.416 4.315 -2.814 81 HH11 ARG 10 HH11 ARG 10 -3.465 6.076 -1.801 82 HH12 ARG 10 HH12 ARG 10 -4.231 7.607 -1.743 83 HH21 ARG 10 HH21 ARG 10 -7.467 6.312 -2.390 84 HH22 ARG 10 HH22 ARG 10 -6.532 7.776 -2.318 85 H ASN 11 HN ASN 11 -4.402 1.094 1.183 86 HA ASN 11 HA ASN 11 -1.640 0.615 0.769 87 HB2 ASN 11 HB2 ASN 11 -3.072 0.967 3.421 88 HB3 ASN 11 HB3 ASN 11 -1.334 1.090 3.156 89 HD21 ASN 11 HD21 ASN 11 -4.095 3.051 3.545 90 HD22 ASN 11 HD22 ASN 11 -3.473 4.381 2.641 91 H LYS 12 HN LYS 12 -4.052 -1.506 2.437 92 HA LYS 12 HA LYS 12 -2.302 -3.526 3.324 93 HB2 LYS 12 HB2 LYS 12 -4.586 -3.729 3.923 94 HB3 LYS 12 HB3 LYS 12 -5.146 -3.592 2.254 95 HG2 LYS 12 HG2 LYS 12 -4.354 -5.798 1.690 96 HG3 LYS 12 HG3 LYS 12 -3.519 -5.967 3.245 97 HD2 LYS 12 HD2 LYS 12 -5.595 -6.102 4.431 98 HD3 LYS 12 HD3 LYS 12 -6.545 -5.634 3.007 99 HE2 LYS 12 HE2 LYS 12 -6.104 -7.702 1.880 100 HE3 LYS 12 HE3 LYS 12 -4.773 -8.104 2.961 101 HZ1 LYS 12 HZ1 LYS 12 -6.760 -9.376 3.469 102 HZ2 LYS 12 HZ2 LYS 12 -7.595 -8.005 3.869 103 HZ3 LYS 12 HZ3 LYS 12 -6.282 -8.452 4.727 104 H LEU 13 HN LEU 13 -3.902 -3.287 0.117 105 HA LEU 13 HA LEU 13 -2.637 -5.586 -0.981 106 HB2 LEU 13 HB2 LEU 13 -3.860 -3.094 -2.229 107 HB3 LEU 13 HB3 LEU 13 -3.245 -4.445 -3.182 108 HG LEU 13 HG LEU 13 -5.497 -4.725 -1.126 109 HD11 LEU 13 HD11 LEU 13 -6.052 -3.316 -3.107 110 HD12 LEU 13 HD12 LEU 13 -6.925 -4.878 -3.122 111 HD13 LEU 13 HD13 LEU 13 -5.522 -4.619 -4.183 112 HD21 LEU 13 HD21 LEU 13 -4.290 -6.596 -3.229 113 HD22 LEU 13 HD22 LEU 13 -5.770 -6.906 -2.330 114 HD23 LEU 13 HD23 LEU 13 -4.257 -6.815 -1.462 115 H MET 14 HN MET 14 -1.606 -2.079 -1.047 116 HA MET 14 HA MET 14 0.628 -2.480 -2.654 117 HB2 MET 14 HB2 MET 14 -0.362 -0.311 -1.943 118 HB3 MET 14 HB3 MET 14 0.276 -0.566 -0.316 119 HG2 MET 14 HG2 MET 14 1.730 0.923 -1.588 120 HG3 MET 14 HG3 MET 14 2.575 -0.553 -1.160 121 HE1 MET 14 HE1 MET 14 4.095 0.688 -4.576 122 HE2 MET 14 HE2 MET 14 3.483 1.644 -3.213 123 HE3 MET 14 HE3 MET 14 4.483 0.206 -2.907 124 H GLY 15 HN GLY 15 0.377 -2.674 0.980 125 HA2 GLY 15 HA2 GLY 15 3.137 -3.136 1.272 126 HA3 GLY 15 HA1 GLY 15 1.947 -3.549 2.501 127 H LEU 16 HN LEU 16 0.555 -5.501 0.571 128 HA LEU 16 HA LEU 16 2.117 -7.835 1.096 129 HB2 LEU 16 HB2 LEU 16 -0.179 -7.220 -0.807 130 HB3 LEU 16 HB3 LEU 16 0.526 -8.821 -0.675 131 HG LEU 16 HG LEU 16 -0.694 -7.333 1.690 132 HD11 LEU 16 HD11 LEU 16 -2.400 -7.778 -0.009 133 HD12 LEU 16 HD12 LEU 16 -2.620 -8.864 1.370 134 HD13 LEU 16 HD13 LEU 16 -1.878 -9.470 -0.126 135 HD21 LEU 16 HD21 LEU 16 0.209 -10.228 1.312 136 HD22 LEU 16 HD22 LEU 16 -0.738 -9.644 2.688 137 HD23 LEU 16 HD23 LEU 16 0.895 -9.041 2.439 138 H TRP 17 HN TRP 17 2.041 -5.649 -1.720 139 HA TRP 17 HA TRP 17 3.803 -7.313 -3.359 140 HB2 TRP 17 HB2 TRP 17 2.333 -5.663 -4.419 141 HB3 TRP 17 HB3 TRP 17 3.049 -4.364 -3.486 142 HD1 TRP 17 HD1 TRP 17 4.196 -6.924 -6.150 143 HE1 TRP 17 HE1 TRP 17 6.010 -5.874 -7.602 144 HE3 TRP 17 HE3 TRP 17 4.490 -2.344 -3.903 145 HZ2 TRP 17 HZ2 TRP 17 7.416 -3.388 -7.781 146 HZ3 TRP 17 HZ3 TRP 17 6.079 -0.638 -4.760 147 HH2 TRP 17 HH2 TRP 17 7.542 -1.141 -6.709 148 H VAL 18 HN VAL 18 4.201 -4.308 -1.436 149 HA VAL 18 HA VAL 18 6.933 -3.987 -1.792 150 HB VAL 18 HB VAL 18 5.234 -3.283 0.614 151 HG11 VAL 18 HG11 VAL 18 6.829 -1.557 1.091 152 HG12 VAL 18 HG12 VAL 18 7.673 -3.081 1.120 153 HG13 VAL 18 HG13 VAL 18 7.854 -2.031 -0.290 154 HG21 VAL 18 HG21 VAL 18 4.457 -2.302 -1.632 155 HG22 VAL 18 HG22 VAL 18 4.829 -1.164 -0.344 156 HG23 VAL 18 HG23 VAL 18 5.995 -1.428 -1.666 157 H ALA 19 HN ALA 19 5.371 -5.652 0.990 158 HA ALA 19 HA ALA 19 7.612 -6.587 2.390 159 HB1 ALA 19 HB1 ALA 19 4.895 -7.857 1.792 160 HB2 ALA 19 HB2 ALA 19 6.015 -8.395 3.039 161 HB3 ALA 19 HB3 ALA 19 5.294 -6.787 3.163 162 H GLU 20 HN GLU 20 5.967 -8.244 -0.378 163 HA GLU 20 HA GLU 20 7.786 -10.428 -0.357 164 HB2 GLU 20 HB2 GLU 20 5.612 -10.626 -1.307 165 HB3 GLU 20 HB3 GLU 20 5.877 -9.264 -2.424 166 HG2 GLU 20 HG2 GLU 20 7.589 -10.506 -3.616 167 HG3 GLU 20 HG3 GLU 20 7.454 -11.864 -2.496 168 H VAL 21 HN VAL 21 7.799 -7.326 -2.130 169 HA VAL 21 HA VAL 21 10.137 -7.808 -3.694 170 HB VAL 21 HB VAL 21 8.976 -5.213 -2.612 171 HG11 VAL 21 HG11 VAL 21 10.336 -4.034 -4.305 172 HG12 VAL 21 HG12 VAL 21 11.341 -4.803 -3.085 173 HG13 VAL 21 HG13 VAL 21 11.177 -5.558 -4.681 174 HG21 VAL 21 HG21 VAL 21 8.167 -4.894 -4.929 175 HG22 VAL 21 HG22 VAL 21 8.841 -6.470 -5.382 176 HG23 VAL 21 HG23 VAL 21 7.510 -6.376 -4.241 177 H LEU 22 HN LEU 22 9.803 -6.516 -0.324 178 HA LEU 22 HA LEU 22 12.603 -6.144 0.081 179 HB2 LEU 22 HB2 LEU 22 10.223 -6.456 1.920 180 HB3 LEU 22 HB3 LEU 22 11.831 -6.540 2.583 181 HG LEU 22 HG LEU 22 10.549 -4.190 1.177 182 HD11 LEU 22 HD11 LEU 22 10.765 -3.077 3.273 183 HD12 LEU 22 HD12 LEU 22 11.863 -4.332 3.908 184 HD13 LEU 22 HD13 LEU 22 10.161 -4.706 3.629 185 HD21 LEU 22 HD21 LEU 22 13.477 -4.659 1.834 186 HD22 LEU 22 HD22 LEU 22 12.808 -3.035 1.877 187 HD23 LEU 22 HD23 LEU 22 12.741 -3.941 0.368 188 H GLY 23 HN GLY 23 10.666 -9.073 0.184 189 HA2 GLY 23 HA2 GLY 23 11.773 -11.265 0.162 190 HA3 GLY 23 HA1 GLY 23 13.089 -10.590 1.118 191 H LYS 24 HN LYS 24 9.987 -9.411 2.079 192 HA LYS 24 HA LYS 24 9.955 -11.060 4.498 193 HB2 LYS 24 HB2 LYS 24 7.931 -9.123 3.366 194 HB3 LYS 24 HB3 LYS 24 7.820 -9.917 4.935 195 HG2 LYS 24 HG2 LYS 24 9.973 -8.767 5.580 196 HG3 LYS 24 HG3 LYS 24 9.907 -7.862 4.068 197 HD2 LYS 24 HD2 LYS 24 7.956 -6.672 4.727 198 HD3 LYS 24 HD3 LYS 24 7.505 -7.874 5.919 199 HE2 LYS 24 HE2 LYS 24 8.265 -5.971 7.124 200 HE3 LYS 24 HE3 LYS 24 9.453 -7.256 7.326 201 HZ1 LYS 24 HZ1 LYS 24 10.455 -5.145 6.935 202 HZ2 LYS 24 HZ2 LYS 24 9.713 -4.966 5.472 203 HZ3 LYS 24 HZ3 LYS 24 10.856 -6.145 5.720 204 H SER 25 HN SER 25 8.278 -12.512 4.969 205 HA SER 25 HA SER 25 6.476 -13.550 2.926 206 HB2 SER 25 HB2 SER 25 7.633 -15.861 3.301 207 HB3 SER 25 HB3 SER 25 8.355 -14.734 2.160 208 HG SER 25 HG SER 25 10.076 -15.033 3.224 209 H GLY 26 HN GLY 26 5.371 -15.586 4.029 210 HA2 GLY 26 HA2 GLY 26 4.099 -16.356 5.769 211 HA3 GLY 26 HA1 GLY 26 5.545 -16.090 6.766 212 H ASP 27 HN ASP 27 4.806 -15.118 8.582 213 HA ASP 27 HA ASP 27 2.466 -13.397 8.685 214 HB2 ASP 27 HB2 ASP 27 4.614 -14.103 10.743 215 HB3 ASP 27 HB3 ASP 27 3.221 -13.096 11.073 216 H GLU 28 HN GLU 28 6.070 -12.949 8.645 217 HA GLU 28 HA GLU 28 6.374 -10.409 9.367 218 HB2 GLU 28 HB2 GLU 28 7.852 -12.423 8.048 219 HB3 GLU 28 HB3 GLU 28 7.814 -11.117 6.869 220 HG2 GLU 28 HG2 GLU 28 8.368 -9.807 9.209 221 HG3 GLU 28 HG3 GLU 28 9.154 -11.344 9.499 222 H ALA 29 HN ALA 29 5.388 -11.505 6.143 223 HA ALA 29 HA ALA 29 5.358 -8.884 4.966 224 HB1 ALA 29 HB1 ALA 29 3.980 -11.473 4.106 225 HB2 ALA 29 HB2 ALA 29 4.152 -10.038 3.084 226 HB3 ALA 29 HB3 ALA 29 5.597 -10.931 3.600 227 H ASN 30 HN ASN 30 2.977 -10.674 6.720 228 HA ASN 30 HA ASN 30 0.661 -9.115 5.719 229 HB2 ASN 30 HB2 ASN 30 0.933 -11.348 7.779 230 HB3 ASN 30 HB3 ASN 30 -0.532 -10.374 7.627 231 HD21 ASN 30 HD21 ASN 30 0.070 -13.330 6.996 232 HD22 ASN 30 HD22 ASN 30 -0.496 -13.515 5.356 233 H ALA 31 HN ALA 31 2.719 -9.424 8.592 234 HA ALA 31 HA ALA 31 1.500 -7.427 10.181 235 HB1 ALA 31 HB1 ALA 31 3.185 -8.968 11.049 236 HB2 ALA 31 HB2 ALA 31 4.428 -8.234 10.008 237 HB3 ALA 31 HB3 ALA 31 3.660 -7.274 11.289 238 H TYR 32 HN TYR 32 4.117 -7.206 7.702 239 HA TYR 32 HA TYR 32 4.489 -4.398 7.925 240 HB2 TYR 32 HB2 TYR 32 6.044 -5.790 6.687 241 HB3 TYR 32 HB3 TYR 32 4.805 -6.237 5.521 242 HD1 TYR 32 HD1 TYR 32 3.984 -4.536 3.882 243 HD2 TYR 32 HD2 TYR 32 7.111 -3.566 6.682 244 HE1 TYR 32 HE1 TYR 32 4.353 -2.380 2.721 245 HE2 TYR 32 HE2 TYR 32 7.637 -1.527 5.413 246 HH TYR 32 HH TYR 32 7.220 -0.492 3.174 247 H ALA 33 HN ALA 33 2.176 -6.264 5.907 248 HA ALA 33 HA ALA 33 1.142 -3.993 4.557 249 HB1 ALA 33 HB1 ALA 33 0.862 -6.348 3.781 250 HB2 ALA 33 HB2 ALA 33 -0.233 -6.663 5.147 251 HB3 ALA 33 HB3 ALA 33 -0.693 -5.502 3.888 252 H ALA 34 HN ALA 34 0.813 -4.642 7.889 253 HA ALA 34 HA ALA 34 -1.638 -2.967 8.062 254 HB1 ALA 34 HB1 ALA 34 -1.460 -4.948 9.546 255 HB2 ALA 34 HB2 ALA 34 -0.011 -4.228 10.294 256 HB3 ALA 34 HB3 ALA 34 -1.581 -3.412 10.431 257 H GLU 35 HN GLU 35 1.911 -2.922 8.743 258 HA GLU 35 HA GLU 35 2.055 -0.420 10.078 259 HB2 GLU 35 HB2 GLU 35 4.043 -1.740 8.212 260 HB3 GLU 35 HB3 GLU 35 4.366 -0.355 9.238 261 HG2 GLU 35 HG2 GLU 35 3.583 -3.147 10.181 262 HG3 GLU 35 HG3 GLU 35 5.177 -2.397 10.197 263 H VAL 36 HN VAL 36 2.265 -1.245 6.609 264 HA VAL 36 HA VAL 36 2.692 1.375 5.617 265 HB VAL 36 HB VAL 36 2.971 -0.937 4.483 266 HG11 VAL 36 HG11 VAL 36 0.917 -1.819 5.046 267 HG12 VAL 36 HG12 VAL 36 0.101 -0.742 3.880 268 HG13 VAL 36 HG13 VAL 36 1.364 -1.885 3.327 269 HG21 VAL 36 HG21 VAL 36 1.476 1.199 2.903 270 HG22 VAL 36 HG22 VAL 36 3.231 1.215 3.196 271 HG23 VAL 36 HG23 VAL 36 2.508 -0.071 2.215 272 H VAL 37 HN VAL 37 -0.269 -0.114 6.717 273 HA VAL 37 HA VAL 37 -2.020 1.851 5.427 274 HB VAL 37 HB VAL 37 -2.528 -0.158 7.673 275 HG11 VAL 37 HG11 VAL 37 -4.930 0.094 7.044 276 HG12 VAL 37 HG12 VAL 37 -4.224 1.572 7.715 277 HG13 VAL 37 HG13 VAL 37 -4.473 1.438 5.969 278 HG21 VAL 37 HG21 VAL 37 -3.257 -1.743 6.101 279 HG22 VAL 37 HG22 VAL 37 -3.419 -0.569 4.811 280 HG23 VAL 37 HG23 VAL 37 -1.809 -1.103 5.327 281 H LYS 38 HN LYS 38 -0.515 1.243 8.664 282 HA LYS 38 HA LYS 38 -1.651 3.425 9.921 283 HB2 LYS 38 HB2 LYS 38 -0.308 1.176 10.649 284 HB3 LYS 38 HB3 LYS 38 1.041 2.335 10.752 285 HG2 LYS 38 HG2 LYS 38 -0.273 3.740 12.256 286 HG3 LYS 38 HG3 LYS 38 -1.704 2.748 11.931 287 HD2 LYS 38 HD2 LYS 38 0.728 1.397 13.097 288 HD3 LYS 38 HD3 LYS 38 -0.188 2.473 14.144 289 HE2 LYS 38 HE2 LYS 38 -1.349 0.073 12.678 290 HE3 LYS 38 HE3 LYS 38 -0.913 0.158 14.397 291 HZ1 LYS 38 HZ1 LYS 38 -2.491 2.226 14.282 292 HZ2 LYS 38 HZ2 LYS 38 -3.088 0.721 14.537 293 HZ3 LYS 38 HZ3 LYS 38 -3.162 1.424 13.026 294 H ALA 39 HN ALA 39 0.443 3.724 7.333 295 HA ALA 39 HA ALA 39 1.407 6.342 8.378 296 HB1 ALA 39 HB1 ALA 39 2.704 4.567 6.265 297 HB2 ALA 39 HB2 ALA 39 3.297 6.137 6.848 298 HB3 ALA 39 HB3 ALA 39 3.254 4.754 7.957 299 H ASP 40 HN ASP 40 -1.210 5.503 7.020 300 HA ASP 40 HA ASP 40 -1.070 7.564 4.856 301 HB2 ASP 40 HB2 ASP 40 -1.724 5.264 4.037 302 HB3 ASP 40 HB3 ASP 40 -3.145 5.368 5.045 303 H PHE 41 HN PHE 41 -1.064 8.987 6.729 304 HA PHE 41 HA PHE 41 -3.717 9.909 7.332 305 HB2 PHE 41 HB2 PHE 41 -1.748 9.550 9.621 306 HB3 PHE 41 HB3 PHE 41 -3.409 10.105 9.726 307 HD1 PHE 41 HD2 PHE 41 -5.233 8.215 8.844 308 HD2 PHE 41 HD1 PHE 41 -1.264 7.441 10.358 309 HE1 PHE 41 HE2 PHE 41 -5.940 5.947 9.596 310 HE2 PHE 41 HE1 PHE 41 -1.972 5.231 11.114 311 HZ PHE 41 HZ PHE 41 -4.329 4.456 10.737 312 H GLU 42 HN GLU 42 -3.238 12.016 8.740 313 HA GLU 42 HA GLU 42 -2.369 14.015 9.074 314 HB2 GLU 42 HB2 GLU 42 0.356 12.830 8.441 315 HB3 GLU 42 HB3 GLU 42 0.010 14.380 9.209 316 HG2 GLU 42 HG2 GLU 42 -1.379 13.000 10.943 317 HG3 GLU 42 HG3 GLU 42 -0.503 11.604 10.315 318 H GLU 43 HN GLU 43 -0.523 12.910 6.181 319 HA GLU 43 HA GLU 43 -1.526 15.229 4.667 320 HB2 GLU 43 HB2 GLU 43 0.520 13.100 4.187 321 HB3 GLU 43 HB3 GLU 43 -0.409 13.634 2.787 322 HG2 GLU 43 HG2 GLU 43 1.528 15.056 2.938 323 HG3 GLU 43 HG3 GLU 43 0.102 16.005 3.313 324 H ALA 44 HN ALA 44 -2.613 14.628 2.514 325 HA ALA 44 HA ALA 44 -4.794 12.635 2.962 326 HB1 ALA 44 HB1 ALA 44 -6.442 14.312 2.295 327 HB2 ALA 44 HB2 ALA 44 -5.532 14.897 3.710 328 HB3 ALA 44 HB3 ALA 44 -5.169 15.535 2.091 329 H GLY 45 HN GLY 45 -2.393 12.534 1.369 330 HA2 GLY 45 HA2 GLY 45 -3.365 11.701 -1.148 331 HA3 GLY 45 HA1 GLY 45 -2.596 13.293 -1.333 332 H HIS 46 HN HIS 46 -2.001 10.377 0.632 333 HA HIS 46 HA HIS 46 -0.418 8.862 0.753 334 HB2 HIS 46 HB2 HIS 46 0.263 7.882 -1.326 335 HB3 HIS 46 HB3 HIS 46 -1.404 8.423 -1.412 336 HD1 HIS 46 HD1 HIS 46 1.991 10.189 -2.330 337 HD2 HIS 46 HD2 HIS 46 -1.985 9.675 -3.596 338 HE1 HIS 46 HE1 HIS 46 1.740 11.521 -4.458 339 H GLU 47 HN GLU 47 0.784 11.926 0.383 340 HA GLU 47 HA GLU 47 3.443 11.845 -0.164 341 HB2 GLU 47 HB2 GLU 47 1.732 13.295 1.766 342 HB3 GLU 47 HB3 GLU 47 3.417 13.260 2.240 343 HG2 GLU 47 HG2 GLU 47 3.118 15.256 1.047 344 HG3 GLU 47 HG3 GLU 47 4.058 14.179 0.022 345 H ASP 48 HN ASP 48 2.116 11.042 3.079 346 HA ASP 48 HA ASP 48 4.679 10.288 4.044 347 HB2 ASP 48 HB2 ASP 48 2.608 11.224 5.303 348 HB3 ASP 48 HB3 ASP 48 2.052 9.548 5.360 349 H VAL 49 HN VAL 49 1.953 8.450 2.796 350 HA VAL 49 HA VAL 49 2.829 5.823 3.319 351 HB VAL 49 HB VAL 49 1.443 6.814 0.769 352 HG11 VAL 49 HG11 VAL 49 0.474 4.592 0.689 353 HG12 VAL 49 HG12 VAL 49 2.234 4.470 0.672 354 HG13 VAL 49 HG13 VAL 49 1.337 4.121 2.180 355 HG21 VAL 49 HG21 VAL 49 0.234 6.022 3.419 356 HG22 VAL 49 HG22 VAL 49 0.157 7.633 2.691 357 HG23 VAL 49 HG23 VAL 49 -0.690 6.299 1.911 358 H MET 50 HN MET 50 3.480 7.975 0.527 359 HA MET 50 HA MET 50 5.243 6.236 -0.849 360 HB2 MET 50 HB2 MET 50 4.906 9.249 -0.891 361 HB3 MET 50 HB3 MET 50 6.065 8.407 -1.887 362 HG2 MET 50 HG2 MET 50 3.522 9.018 -2.589 363 HG3 MET 50 HG3 MET 50 4.566 7.917 -3.434 364 HE1 MET 50 HE1 MET 50 3.779 5.580 -4.170 365 HE2 MET 50 HE2 MET 50 4.680 5.269 -2.671 366 HE3 MET 50 HE3 MET 50 3.109 4.459 -2.966 367 H ARG 51 HN ARG 51 5.890 8.813 1.616 368 HA ARG 51 HA ARG 51 8.715 8.525 1.488 369 HB2 ARG 51 HB2 ARG 51 6.904 10.189 2.798 370 HB3 ARG 51 HB3 ARG 51 7.433 9.230 4.158 371 HG2 ARG 51 HG2 ARG 51 9.314 10.593 2.195 372 HG3 ARG 51 HG3 ARG 51 8.696 11.391 3.628 373 HD2 ARG 51 HD2 ARG 51 9.961 10.126 5.078 374 HD3 ARG 51 HD3 ARG 51 9.975 8.705 4.071 375 HE ARG 51 HE ARG 51 11.715 11.077 3.852 376 HH11 ARG 51 HH11 ARG 51 10.886 7.870 2.502 377 HH12 ARG 51 HH12 ARG 51 12.358 7.777 1.560 378 HH21 ARG 51 HH21 ARG 51 13.672 10.776 2.897 379 HH22 ARG 51 HH22 ARG 51 14.011 9.490 1.768 380 H LYS 52 HN LYS 52 6.328 6.987 3.661 381 HA LYS 52 HA LYS 52 8.016 5.442 5.257 382 HB2 LYS 52 HB2 LYS 52 5.672 5.811 5.683 383 HB3 LYS 52 HB3 LYS 52 5.184 4.872 4.285 384 HG2 LYS 52 HG2 LYS 52 6.862 3.597 6.463 385 HG3 LYS 52 HG3 LYS 52 5.153 3.889 6.734 386 HD2 LYS 52 HD2 LYS 52 4.650 2.580 4.615 387 HD3 LYS 52 HD3 LYS 52 6.353 2.083 4.600 388 HE2 LYS 52 HE2 LYS 52 4.260 1.465 6.750 389 HE3 LYS 52 HE3 LYS 52 5.018 0.324 5.657 390 HZ1 LYS 52 HZ1 LYS 52 6.171 1.763 7.958 391 HZ2 LYS 52 HZ2 LYS 52 7.183 1.144 6.790 392 HZ3 LYS 52 HZ3 LYS 52 6.254 0.161 7.654 393 H VAL 53 HN VAL 53 6.387 4.461 2.159 394 HA VAL 53 HA VAL 53 7.577 1.858 2.250 395 HB VAL 53 HB VAL 53 5.342 2.617 1.249 396 HG11 VAL 53 HG11 VAL 53 6.149 4.494 -0.118 397 HG12 VAL 53 HG12 VAL 53 6.974 3.386 -1.200 398 HG13 VAL 53 HG13 VAL 53 5.211 3.332 -1.053 399 HG21 VAL 53 HG21 VAL 53 5.987 0.418 0.935 400 HG22 VAL 53 HG22 VAL 53 5.409 1.008 -0.631 401 HG23 VAL 53 HG23 VAL 53 7.153 0.809 -0.351 402 H LEU 54 HN LEU 54 8.450 4.906 0.598 403 HA LEU 54 HA LEU 54 10.400 3.784 -1.079 404 HB2 LEU 54 HB2 LEU 54 9.860 6.553 0.037 405 HB3 LEU 54 HB3 LEU 54 11.314 6.320 -0.818 406 HG LEU 54 HG LEU 54 8.564 5.764 -2.010 407 HD11 LEU 54 HD11 LEU 54 10.533 8.075 -2.301 408 HD12 LEU 54 HD12 LEU 54 8.900 8.140 -1.626 409 HD13 LEU 54 HD13 LEU 54 9.146 7.817 -3.354 410 HD21 LEU 54 HD21 LEU 54 10.187 4.339 -3.142 411 HD22 LEU 54 HD22 LEU 54 11.325 5.697 -3.304 412 HD23 LEU 54 HD23 LEU 54 9.779 5.694 -4.182 413 H GLY 55 HN GLY 55 10.763 5.361 2.114 414 HA2 GLY 55 HA2 GLY 55 13.602 4.968 2.234 415 HA3 GLY 55 HA1 GLY 55 12.546 5.326 3.602 416 H ASP 56 HN ASP 56 10.765 2.944 3.268 417 HA ASP 56 HA ASP 56 12.387 1.078 4.751 418 HB2 ASP 56 HB2 ASP 56 9.546 1.193 3.745 419 HB3 ASP 56 HB3 ASP 56 10.194 -0.359 4.242 420 H LEU 57 HN LEU 57 11.687 1.422 1.249 421 HA LEU 57 HA LEU 57 12.359 -1.334 0.624 422 HB2 LEU 57 HB2 LEU 57 11.757 1.220 -0.853 423 HB3 LEU 57 HB3 LEU 57 12.808 0.122 -1.673 424 HG LEU 57 HG LEU 57 9.925 -0.281 -0.926 425 HD11 LEU 57 HD11 LEU 57 11.513 -0.816 -3.469 426 HD12 LEU 57 HD12 LEU 57 10.871 0.778 -3.086 427 HD13 LEU 57 HD13 LEU 57 9.759 -0.601 -3.320 428 HD21 LEU 57 HD21 LEU 57 10.080 -2.617 -1.845 429 HD22 LEU 57 HD22 LEU 57 10.753 -2.422 -0.239 430 HD23 LEU 57 HD23 LEU 57 11.838 -2.533 -1.649 431 H ASP 58 HN ASP 58 14.254 1.506 1.240 432 HA ASP 58 HA ASP 58 16.486 1.883 1.286 433 HB2 ASP 58 HB2 ASP 58 16.534 -0.508 2.183 434 HB3 ASP 58 HB3 ASP 58 16.988 -1.025 0.565 435 H GLY 59 HN GLY 59 14.814 1.302 -1.410 436 HA2 GLY 59 HA2 GLY 59 15.311 2.021 -3.630 437 HA3 GLY 59 HA1 GLY 59 17.040 1.843 -3.313 438 H LYS 60 HN LYS 60 14.954 -0.840 -2.239 439 HA LYS 60 HA LYS 60 16.188 -2.690 -3.971 440 HB2 LYS 60 HB2 LYS 60 14.054 -2.706 -2.005 441 HB3 LYS 60 HB3 LYS 60 13.719 -3.810 -3.313 442 HG2 LYS 60 HG2 LYS 60 15.938 -4.819 -3.052 443 HG3 LYS 60 HG3 LYS 60 16.305 -3.751 -1.686 444 HD2 LYS 60 HD2 LYS 60 14.694 -4.723 -0.300 445 HD3 LYS 60 HD3 LYS 60 13.791 -5.435 -1.643 446 HE2 LYS 60 HE2 LYS 60 16.492 -6.388 -0.607 447 HE3 LYS 60 HE3 LYS 60 14.929 -7.163 -0.332 448 HZ1 LYS 60 HZ1 LYS 60 16.415 -6.934 -2.844 449 HZ2 LYS 60 HZ2 LYS 60 14.807 -7.334 -2.843 450 HZ3 LYS 60 HZ3 LYS 60 15.912 -8.295 -2.084 451 H ARG 61 HN ARG 61 13.654 -0.505 -4.792 452 HA ARG 61 HA ARG 61 13.533 -1.514 -7.478 453 HB2 ARG 61 HB2 ARG 61 11.058 -1.309 -5.686 454 HB3 ARG 61 HB3 ARG 61 10.928 -1.041 -7.409 455 HG2 ARG 61 HG2 ARG 61 11.940 -3.637 -6.180 456 HG3 ARG 61 HG3 ARG 61 10.287 -3.312 -6.709 457 HD2 ARG 61 HD2 ARG 61 11.230 -2.756 -9.002 458 HD3 ARG 61 HD3 ARG 61 12.771 -3.432 -8.463 459 HE ARG 61 HE ARG 61 11.191 -5.488 -7.843 460 HH11 ARG 61 HH11 ARG 61 11.099 -3.563 -10.868 461 HH12 ARG 61 HH12 ARG 61 9.921 -4.583 -11.582 462 HH21 ARG 61 HH21 ARG 61 9.773 -6.854 -8.880 463 HH22 ARG 61 HH22 ARG 61 9.225 -6.514 -10.508 464 HA PRO 62 HA PRO 62 13.566 2.903 -7.944 465 HB2 PRO 62 HB2 PRO 62 12.018 3.252 -10.241 466 HB3 PRO 62 HB3 PRO 62 13.734 2.761 -10.239 467 HG2 PRO 62 HG2 PRO 62 11.257 1.037 -10.426 468 HG3 PRO 62 HG3 PRO 62 12.782 0.911 -11.370 469 HD2 PRO 62 HD2 PRO 62 12.259 -0.707 -9.286 470 HD3 PRO 62 HD3 PRO 62 13.905 -0.075 -9.575 471 H GLU 63 HN GLU 63 12.333 4.727 -7.652 472 HA GLU 63 HA GLU 63 9.821 4.634 -6.393 473 HB2 GLU 63 HB2 GLU 63 11.257 6.563 -6.227 474 HB3 GLU 63 HB3 GLU 63 11.173 6.858 -7.967 475 HG2 GLU 63 HG2 GLU 63 8.861 7.495 -7.854 476 HG3 GLU 63 HG3 GLU 63 8.679 6.882 -6.212 477 H ALA 64 HN ALA 64 10.540 5.053 -9.921 478 HA ALA 64 HA ALA 64 7.894 5.808 -10.523 479 HB1 ALA 64 HB1 ALA 64 9.709 6.241 -12.059 480 HB2 ALA 64 HB2 ALA 64 9.909 4.501 -12.362 481 HB3 ALA 64 HB3 ALA 64 8.430 5.331 -12.875 482 H GLU 65 HN GLU 65 9.258 2.411 -10.445 483 HA GLU 65 HA GLU 65 6.799 1.247 -11.246 484 HB2 GLU 65 HB2 GLU 65 9.002 0.112 -11.276 485 HB3 GLU 65 HB3 GLU 65 9.026 0.072 -9.510 486 HG2 GLU 65 HG2 GLU 65 7.384 -1.541 -9.363 487 HG3 GLU 65 HG3 GLU 65 6.548 -0.955 -10.779 488 H VAL 66 HN VAL 66 8.157 2.124 -8.027 489 HA VAL 66 HA VAL 66 6.120 1.004 -6.420 490 HB VAL 66 HB VAL 66 7.956 3.393 -5.995 491 HG11 VAL 66 HG11 VAL 66 6.011 3.631 -4.471 492 HG12 VAL 66 HG12 VAL 66 6.325 1.994 -3.847 493 HG13 VAL 66 HG13 VAL 66 7.512 3.298 -3.631 494 HG21 VAL 66 HG21 VAL 66 8.135 0.611 -4.777 495 HG22 VAL 66 HG22 VAL 66 8.985 1.066 -6.259 496 HG23 VAL 66 HG23 VAL 66 9.349 1.914 -4.761 497 H ARG 67 HN ARG 67 6.298 4.323 -7.824 498 HA ARG 67 HA ARG 67 3.832 5.211 -6.687 499 HB2 ARG 67 HB2 ARG 67 4.647 6.182 -9.442 500 HB3 ARG 67 HB3 ARG 67 3.774 7.015 -8.174 501 HG2 ARG 67 HG2 ARG 67 6.207 6.557 -6.963 502 HG3 ARG 67 HG3 ARG 67 6.683 6.692 -8.654 503 HD2 ARG 67 HD2 ARG 67 6.927 8.858 -7.642 504 HD3 ARG 67 HD3 ARG 67 5.606 8.909 -8.824 505 HE ARG 67 HE ARG 67 4.451 8.284 -6.362 506 HH11 ARG 67 HH11 ARG 67 6.494 11.120 -7.365 507 HH12 ARG 67 HH12 ARG 67 5.682 12.127 -6.211 508 HH21 ARG 67 HH21 ARG 67 3.427 9.706 -5.074 509 HH22 ARG 67 HH22 ARG 67 4.115 11.264 -4.677 510 H ALA 68 HN ALA 68 4.514 3.954 -9.928 511 HA ALA 68 HA ALA 68 1.847 3.933 -10.837 512 HB1 ALA 68 HB1 ALA 68 3.739 3.588 -12.337 513 HB2 ALA 68 HB2 ALA 68 4.024 1.967 -11.649 514 HB3 ALA 68 HB3 ALA 68 2.518 2.313 -12.532 515 H LYS 69 HN LYS 69 3.574 1.298 -9.144 516 HA LYS 69 HA LYS 69 1.626 -0.694 -9.217 517 HB2 LYS 69 HB2 LYS 69 4.057 -0.691 -8.186 518 HB3 LYS 69 HB3 LYS 69 3.267 -0.157 -6.712 519 HG2 LYS 69 HG2 LYS 69 3.198 -2.469 -6.448 520 HG3 LYS 69 HG3 LYS 69 1.639 -2.201 -7.180 521 HD2 LYS 69 HD2 LYS 69 2.854 -2.621 -9.475 522 HD3 LYS 69 HD3 LYS 69 4.242 -3.118 -8.502 523 HE2 LYS 69 HE2 LYS 69 3.016 -5.049 -9.257 524 HE3 LYS 69 HE3 LYS 69 2.957 -4.911 -7.492 525 HZ1 LYS 69 HZ1 LYS 69 0.770 -3.894 -9.185 526 HZ2 LYS 69 HZ2 LYS 69 0.747 -4.218 -7.566 527 HZ3 LYS 69 HZ3 LYS 69 0.817 -5.454 -8.637 528 H TYR 70 HN TYR 70 2.066 1.906 -6.796 529 HA TYR 70 HA TYR 70 -0.216 1.239 -5.212 530 HB2 TYR 70 HB2 TYR 70 1.780 2.454 -4.405 531 HB3 TYR 70 HB3 TYR 70 1.394 3.812 -5.448 532 HD1 TYR 70 HD2 TYR 70 -0.194 1.671 -2.754 533 HD2 TYR 70 HD1 TYR 70 0.139 5.588 -4.555 534 HE1 TYR 70 HE2 TYR 70 -1.486 2.635 -0.903 535 HE2 TYR 70 HE1 TYR 70 -1.164 6.547 -2.722 536 HH TYR 70 HH TYR 70 -2.025 4.700 0.218 537 H GLU 71 HN GLU 71 0.386 3.831 -7.618 538 HA GLU 71 HA GLU 71 -2.036 5.196 -7.484 539 HB2 GLU 71 HB2 GLU 71 -0.153 4.721 -9.810 540 HB3 GLU 71 HB3 GLU 71 -1.412 5.937 -9.842 541 HG2 GLU 71 HG2 GLU 71 0.665 6.002 -7.636 542 HG3 GLU 71 HG3 GLU 71 1.112 6.519 -9.250 543 H GLY 72 HN GLY 72 -1.241 2.228 -9.313 544 HA2 GLY 72 HA2 GLY 72 -3.775 2.223 -10.773 545 HA3 GLY 72 HA1 GLY 72 -2.475 1.020 -10.835 546 H LEU 73 HN LEU 73 -2.973 1.325 -7.592 547 HA LEU 73 HA LEU 73 -4.275 -1.210 -7.547 548 HB2 LEU 73 HB2 LEU 73 -2.342 -0.067 -6.023 549 HB3 LEU 73 HB3 LEU 73 -3.703 0.355 -5.028 550 HG LEU 73 HG LEU 73 -4.268 -1.998 -4.611 551 HD11 LEU 73 HD11 LEU 73 -2.060 -2.644 -6.666 552 HD12 LEU 73 HD12 LEU 73 -3.772 -3.076 -6.791 553 HD13 LEU 73 HD13 LEU 73 -2.782 -3.830 -5.561 554 HD21 LEU 73 HD21 LEU 73 -1.220 -1.403 -4.634 555 HD22 LEU 73 HD22 LEU 73 -1.955 -2.693 -3.723 556 HD23 LEU 73 HD23 LEU 73 -2.365 -1.003 -3.338 557 H MET 74 HN MET 74 -5.408 2.081 -7.055 558 HA MET 74 HA MET 74 -7.412 1.749 -5.245 559 HB2 MET 74 HB2 MET 74 -6.858 3.901 -6.282 560 HB3 MET 74 HB3 MET 74 -7.592 3.400 -7.806 561 HG2 MET 74 HG2 MET 74 -9.780 3.262 -6.766 562 HG3 MET 74 HG3 MET 74 -9.107 3.552 -5.166 563 HE1 MET 74 HE1 MET 74 -8.197 7.337 -5.245 564 HE2 MET 74 HE2 MET 74 -8.584 5.976 -4.189 565 HE3 MET 74 HE3 MET 74 -7.177 5.875 -5.297 566 H ALA 75 HN ALA 75 -7.628 1.016 -8.737 567 HA ALA 75 HA ALA 75 -10.310 0.136 -8.787 568 HB1 ALA 75 HB1 ALA 75 -9.600 -1.034 -10.860 569 HB2 ALA 75 HB2 ALA 75 -8.995 0.631 -10.810 570 HB3 ALA 75 HB3 ALA 75 -7.910 -0.731 -10.443 571 H VAL 76 HN VAL 76 -7.262 -1.657 -7.975 572 HA VAL 76 HA VAL 76 -8.613 -4.240 -7.855 573 HB VAL 76 HB VAL 76 -6.023 -3.467 -6.449 574 HG11 VAL 76 HG11 VAL 76 -6.983 -6.123 -7.605 575 HG12 VAL 76 HG12 VAL 76 -5.442 -5.844 -6.769 576 HG13 VAL 76 HG13 VAL 76 -6.962 -5.706 -5.882 577 HG21 VAL 76 HG21 VAL 76 -5.702 -2.773 -8.782 578 HG22 VAL 76 HG22 VAL 76 -4.800 -4.258 -8.471 579 HG23 VAL 76 HG23 VAL 76 -6.330 -4.338 -9.346 580 H ALA 77 HN ALA 77 -7.675 -1.709 -5.564 581 HA ALA 77 HA ALA 77 -8.161 -2.977 -3.176 582 HB1 ALA 77 HB1 ALA 77 -6.927 -0.874 -3.386 583 HB2 ALA 77 HB2 ALA 77 -8.423 -0.008 -3.794 584 HB3 ALA 77 HB3 ALA 77 -8.233 -0.723 -2.187 585 H LYS 78 HN LYS 78 -10.261 -0.851 -5.099 586 HA LYS 78 HA LYS 78 -12.621 -0.986 -3.466 587 HB2 LYS 78 HB2 LYS 78 -12.165 -0.417 -6.445 588 HB3 LYS 78 HB3 LYS 78 -13.728 -0.261 -5.661 589 HG2 LYS 78 HG2 LYS 78 -12.877 1.543 -4.195 590 HG3 LYS 78 HG3 LYS 78 -11.268 1.354 -4.867 591 HD2 LYS 78 HD2 LYS 78 -12.190 3.192 -6.074 592 HD3 LYS 78 HD3 LYS 78 -12.272 1.824 -7.177 593 HE2 LYS 78 HE2 LYS 78 -14.434 2.515 -7.446 594 HE3 LYS 78 HE3 LYS 78 -14.700 1.527 -6.007 595 HZ1 LYS 78 HZ1 LYS 78 -15.690 3.598 -5.616 596 HZ2 LYS 78 HZ2 LYS 78 -14.397 4.445 -6.184 597 HZ3 LYS 78 HZ3 LYS 78 -14.270 3.678 -4.753 598 H ALA 79 HN ALA 79 -11.622 -2.856 -6.399 599 HA ALA 79 HA ALA 79 -13.981 -4.333 -6.658 600 HB1 ALA 79 HB1 ALA 79 -11.123 -5.205 -7.271 601 HB2 ALA 79 HB2 ALA 79 -12.608 -5.921 -7.935 602 HB3 ALA 79 HB3 ALA 79 -12.166 -4.253 -8.346 603 H GLN 80 HN GLN 80 -11.068 -5.078 -4.629 604 HA GLN 80 HA GLN 80 -12.232 -7.565 -3.697 605 HB2 GLN 80 HB2 GLN 80 -9.998 -5.826 -2.602 606 HB3 GLN 80 HB3 GLN 80 -10.580 -7.310 -1.831 607 HG2 GLN 80 HG2 GLN 80 -10.072 -8.589 -3.930 608 HG3 GLN 80 HG3 GLN 80 -9.314 -7.121 -4.584 609 HE21 GLN 80 HE21 GLN 80 -7.636 -9.424 -4.279 610 HE22 GLN 80 HE22 GLN 80 -6.541 -9.032 -2.959 611 H LEU 81 HN LEU 81 -12.487 -4.168 -2.467 612 HA LEU 81 HA LEU 81 -13.420 -5.032 0.132 613 HB2 LEU 81 HB2 LEU 81 -12.972 -2.946 0.675 614 HB3 LEU 81 HB3 LEU 81 -12.290 -2.784 -0.880 615 HG LEU 81 HG LEU 81 -14.679 -2.002 -1.622 616 HD11 LEU 81 HD11 LEU 81 -14.738 -1.772 1.436 617 HD12 LEU 81 HD12 LEU 81 -15.927 -2.532 0.414 618 HD13 LEU 81 HD13 LEU 81 -15.790 -0.783 0.380 619 HD21 LEU 81 HD21 LEU 81 -14.099 0.307 -0.970 620 HD22 LEU 81 HD22 LEU 81 -12.641 -0.571 -1.476 621 HD23 LEU 81 HD23 LEU 81 -12.962 -0.357 0.237 622 H MET 82 HN MET 82 -14.968 -4.100 -2.854 623 HA MET 82 HA MET 82 -17.684 -4.113 -1.802 624 HB2 MET 82 HB2 MET 82 -16.564 -4.148 -4.622 625 HB3 MET 82 HB3 MET 82 -18.294 -4.050 -4.246 626 HG2 MET 82 HG2 MET 82 -17.843 -2.037 -2.836 627 HG3 MET 82 HG3 MET 82 -16.163 -2.076 -3.352 628 HE1 MET 82 HE1 MET 82 -15.365 -1.738 -5.829 629 HE2 MET 82 HE2 MET 82 -16.562 -2.835 -6.549 630 HE3 MET 82 HE3 MET 82 -16.412 -1.177 -7.156 631 H ASP 83 HN ASP 83 -15.505 -6.594 -2.397 632 HA ASP 83 HA ASP 83 -17.547 -8.665 -3.040 633 HB2 ASP 83 HB2 ASP 83 -15.789 -8.294 -4.676 634 HB3 ASP 83 HB3 ASP 83 -14.545 -8.362 -3.432 635 H GLU 84 HN GLU 84 -14.863 -7.756 -0.868 636 HA GLU 84 HA GLU 84 -15.345 -10.029 0.947 637 HB2 GLU 84 HB2 GLU 84 -13.302 -7.766 0.810 638 HB3 GLU 84 HB3 GLU 84 -13.403 -8.920 2.111 639 HG2 GLU 84 HG2 GLU 84 -12.895 -9.681 -0.792 640 HG3 GLU 84 HG3 GLU 84 -11.680 -9.581 0.476 641 H LEU 85 HN LEU 85 -17.243 -7.861 0.575 642 HA LEU 85 HA LEU 85 -17.627 -6.545 3.062 643 HB2 LEU 85 HB2 LEU 85 -19.569 -5.685 2.327 644 HB3 LEU 85 HB3 LEU 85 -18.528 -5.695 0.915 645 HG LEU 85 HG LEU 85 -20.887 -7.533 1.528 646 HD11 LEU 85 HD11 LEU 85 -21.380 -5.305 0.592 647 HD12 LEU 85 HD12 LEU 85 -21.731 -6.584 -0.561 648 HD13 LEU 85 HD13 LEU 85 -20.250 -5.623 -0.746 649 HD21 LEU 85 HD21 LEU 85 -19.040 -8.842 0.801 650 HD22 LEU 85 HD22 LEU 85 -18.750 -7.777 -0.569 651 HD23 LEU 85 HD23 LEU 85 -20.254 -8.785 -0.473
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